USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 945 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 LYS NZ :NH3+ -139:sc= -1.54 (180deg=-2.26!) USER MOD Set 1.2: A 127 GLN : amide:sc= -2.02 K(o=-3.6,f=-5.8!) USER MOD Set 2.1: A 61 SER OG : rot -80:sc= -1.63 USER MOD Set 2.2: A 68 GLN : amide:sc= -1.92! X(o=-3.5!,f=-3.8) USER MOD Set 3.1: A 32 MET CE :methyl -138:sc= -6.1! (180deg=-5.6!) USER MOD Set 3.2: A 34 CYS SG : rot -1:sc= -3.89! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.076) USER MOD Single : A 31 GLN : amide:sc= -4.26! C(o=-4.3!,f=-4.2!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= -0.0127 (180deg=-0.178) USER MOD Single : A 42 THR OG1 : rot 90:sc= 0.0292 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -2.97 K(o=-3,f=-0.46) USER MOD Single : A 45 SER OG : rot 31:sc= 0.0303 USER MOD Single : A 57 ASN : amide:sc= -0.724 K(o=-0.72,f=-6.8!) USER MOD Single : A 59 MET CE :methyl 180:sc= -3.79! (180deg=-3.79!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 130:sc= -0.145 USER MOD Single : A 69 SER OG : rot 7:sc= 0.0566 USER MOD Single : A 73 MET CE :methyl -112:sc= -5.75! (180deg=-6.48!) USER MOD Single : A 75 THR OG1 : rot 150:sc= -0.917 USER MOD Single : A 76 GLN : amide:sc= -5.93! C(o=-5.9!,f=-8.5!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.97 K(o=-2,f=-6.2!) USER MOD Single : A 85 THR OG1 : rot -160:sc= -0.038 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0676 X(o=-0.068,f=0) USER MOD Single : A 91 MET CE :methyl -150:sc= -5.86! (180deg=-6.08!) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 95 LYS NZ :NH3+ -147:sc= 0.949 (180deg=0.185) USER MOD Single : A 97 SER OG : rot 180:sc= -0.0573 USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= -1.03 (180deg=-2.22!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.135 USER MOD Single : A 102 HIS : no HD1:sc= -4.14! C(o=-4.1!,f=-3.4!) USER MOD Single : A 104 THR OG1 : rot 10:sc= -0.429 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc=0.000121 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 150:sc= -0.238 (180deg=-1.45) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -100:sc= -0.657 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc= -0.545 K(o=-0.54,f=-1.2) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 SER OG : rot 93:sc= 0.0576 USER MOD ----------------------------------------------------------------- ATOM 364 N SER A 27 -0.762 6.123 -11.457 1.00 0.00 N ATOM 365 CA SER A 27 0.007 7.360 -11.517 1.00 0.00 C ATOM 366 C SER A 27 1.195 7.309 -10.560 1.00 0.00 C ATOM 367 O SER A 27 1.121 6.697 -9.496 1.00 0.00 O ATOM 368 CB SER A 27 -0.884 8.556 -11.178 1.00 0.00 C ATOM 369 OG SER A 27 -1.594 9.003 -12.320 1.00 0.00 O ATOM 0 HA SER A 27 0.386 7.474 -12.533 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.588 8.278 -10.394 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.273 9.369 -10.785 1.00 0.00 H new ATOM 0 HG SER A 27 -2.157 9.767 -12.077 1.00 0.00 H new ATOM 375 N ASN A 28 2.288 7.957 -10.949 1.00 0.00 N ATOM 376 CA ASN A 28 3.493 7.985 -10.127 1.00 0.00 C ATOM 377 C ASN A 28 3.763 9.394 -9.607 1.00 0.00 C ATOM 378 O ASN A 28 4.399 10.205 -10.280 1.00 0.00 O ATOM 379 CB ASN A 28 4.695 7.487 -10.931 1.00 0.00 C ATOM 380 CG ASN A 28 6.009 7.723 -10.211 1.00 0.00 C ATOM 381 OD1 ASN A 28 6.962 8.246 -10.791 1.00 0.00 O ATOM 382 ND2 ASN A 28 6.067 7.339 -8.942 1.00 0.00 N ATOM 0 H ASN A 28 2.365 8.470 -11.828 1.00 0.00 H new ATOM 0 HA ASN A 28 3.337 7.325 -9.274 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.579 6.422 -11.131 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.717 7.992 -11.897 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.925 7.473 -8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.253 6.910 -8.501 1.00 0.00 H new ATOM 389 N VAL A 29 3.275 9.678 -8.403 1.00 0.00 N ATOM 390 CA VAL A 29 3.465 10.987 -7.791 1.00 0.00 C ATOM 391 C VAL A 29 4.944 11.353 -7.724 1.00 0.00 C ATOM 392 O VAL A 29 5.424 12.186 -8.494 1.00 0.00 O ATOM 393 CB VAL A 29 2.872 11.034 -6.371 1.00 0.00 C ATOM 394 CG1 VAL A 29 3.065 12.412 -5.756 1.00 0.00 C ATOM 395 CG2 VAL A 29 1.398 10.654 -6.397 1.00 0.00 C ATOM 0 H VAL A 29 2.745 9.019 -7.833 1.00 0.00 H new ATOM 0 HA VAL A 29 2.943 11.709 -8.419 1.00 0.00 H new ATOM 0 HB VAL A 29 3.400 10.309 -5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.639 12.425 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.129 12.640 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.565 13.159 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.994 10.692 -5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.853 11.353 -7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.290 9.644 -6.793 1.00 0.00 H new ATOM 405 N LEU A 30 5.662 10.725 -6.799 1.00 0.00 N ATOM 406 CA LEU A 30 7.088 10.984 -6.631 1.00 0.00 C ATOM 407 C LEU A 30 7.848 9.690 -6.364 1.00 0.00 C ATOM 408 O LEU A 30 7.414 8.858 -5.567 1.00 0.00 O ATOM 409 CB LEU A 30 7.315 11.970 -5.484 1.00 0.00 C ATOM 410 CG LEU A 30 6.807 11.531 -4.111 1.00 0.00 C ATOM 411 CD1 LEU A 30 7.886 10.764 -3.362 1.00 0.00 C ATOM 412 CD2 LEU A 30 6.346 12.735 -3.302 1.00 0.00 C ATOM 0 H LEU A 30 5.280 10.033 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 30 7.465 11.420 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.384 12.167 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.834 12.914 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 30 5.954 10.868 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.506 10.460 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.167 9.880 -3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.759 11.402 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.988 12.403 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.180 13.423 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.539 13.242 -3.832 1.00 0.00 H new ATOM 424 N GLN A 31 8.986 9.528 -7.031 1.00 0.00 N ATOM 425 CA GLN A 31 9.808 8.336 -6.863 1.00 0.00 C ATOM 426 C GLN A 31 11.223 8.706 -6.434 1.00 0.00 C ATOM 427 O GLN A 31 11.849 9.587 -7.022 1.00 0.00 O ATOM 428 CB GLN A 31 9.849 7.532 -8.163 1.00 0.00 C ATOM 429 CG GLN A 31 10.826 6.367 -8.128 1.00 0.00 C ATOM 430 CD GLN A 31 11.025 5.732 -9.490 1.00 0.00 C ATOM 431 OE1 GLN A 31 10.067 5.310 -10.138 1.00 0.00 O ATOM 432 NE2 GLN A 31 12.276 5.660 -9.932 1.00 0.00 N ATOM 0 H GLN A 31 9.360 10.208 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 31 9.360 7.724 -6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.850 7.151 -8.377 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.119 8.197 -8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.787 6.715 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.462 5.613 -7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.040 6.022 -9.362 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.472 5.242 -10.842 1.00 0.00 H new ATOM 441 N MET A 32 11.723 8.026 -5.408 1.00 0.00 N ATOM 442 CA MET A 32 13.066 8.283 -4.902 1.00 0.00 C ATOM 443 C MET A 32 13.587 7.088 -4.109 1.00 0.00 C ATOM 444 O MET A 32 12.816 6.375 -3.469 1.00 0.00 O ATOM 445 CB MET A 32 13.072 9.536 -4.023 1.00 0.00 C ATOM 446 CG MET A 32 12.337 9.355 -2.704 1.00 0.00 C ATOM 447 SD MET A 32 13.363 8.583 -1.438 1.00 0.00 S ATOM 448 CE MET A 32 12.543 9.144 0.051 1.00 0.00 C ATOM 0 H MET A 32 11.218 7.293 -4.910 1.00 0.00 H new ATOM 0 HA MET A 32 13.724 8.444 -5.756 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.104 9.822 -3.819 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.616 10.359 -4.574 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.995 10.326 -2.347 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.449 8.745 -2.868 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.290 9.436 0.790 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.910 10.000 -0.183 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.929 8.338 0.454 1.00 0.00 H new ATOM 458 N GLN A 33 14.899 6.878 -4.158 1.00 0.00 N ATOM 459 CA GLN A 33 15.520 5.768 -3.445 1.00 0.00 C ATOM 460 C GLN A 33 15.468 5.993 -1.936 1.00 0.00 C ATOM 461 O GLN A 33 15.916 7.027 -1.437 1.00 0.00 O ATOM 462 CB GLN A 33 16.971 5.594 -3.896 1.00 0.00 C ATOM 463 CG GLN A 33 17.108 5.161 -5.346 1.00 0.00 C ATOM 464 CD GLN A 33 18.359 4.341 -5.594 1.00 0.00 C ATOM 465 OE1 GLN A 33 19.397 4.566 -4.971 1.00 0.00 O ATOM 466 NE2 GLN A 33 18.268 3.383 -6.510 1.00 0.00 N ATOM 0 H GLN A 33 15.551 7.461 -4.683 1.00 0.00 H new ATOM 0 HA GLN A 33 14.962 4.861 -3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 33 17.502 6.535 -3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 33 17.455 4.855 -3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 33 16.233 4.577 -5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 33 17.124 6.044 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 33 17.388 3.231 -7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 33 19.078 2.800 -6.720 1.00 0.00 H new ATOM 475 N CYS A 34 14.919 5.021 -1.218 1.00 0.00 N ATOM 476 CA CYS A 34 14.807 5.114 0.234 1.00 0.00 C ATOM 477 C CYS A 34 15.015 3.749 0.883 1.00 0.00 C ATOM 478 O CYS A 34 15.236 2.750 0.197 1.00 0.00 O ATOM 479 CB CYS A 34 13.440 5.675 0.626 1.00 0.00 C ATOM 480 SG CYS A 34 13.438 6.593 2.183 1.00 0.00 S ATOM 0 H CYS A 34 14.544 4.160 -1.616 1.00 0.00 H new ATOM 0 HA CYS A 34 15.584 5.789 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 34 13.086 6.330 -0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.729 4.852 0.701 1.00 0.00 H new ATOM 0 HG CYS A 34 14.632 6.577 2.697 1.00 0.00 H new ATOM 486 N LYS A 35 14.945 3.713 2.210 1.00 0.00 N ATOM 487 CA LYS A 35 15.125 2.473 2.952 1.00 0.00 C ATOM 488 C LYS A 35 13.963 2.239 3.912 1.00 0.00 C ATOM 489 O LYS A 35 13.343 3.186 4.396 1.00 0.00 O ATOM 490 CB LYS A 35 16.442 2.508 3.731 1.00 0.00 C ATOM 491 CG LYS A 35 17.663 2.224 2.873 1.00 0.00 C ATOM 492 CD LYS A 35 18.946 2.631 3.578 1.00 0.00 C ATOM 493 CE LYS A 35 19.325 4.069 3.258 1.00 0.00 C ATOM 494 NZ LYS A 35 20.457 4.546 4.100 1.00 0.00 N ATOM 0 H LYS A 35 14.765 4.530 2.793 1.00 0.00 H new ATOM 0 HA LYS A 35 15.153 1.652 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.554 3.488 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.397 1.776 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.700 1.162 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.579 2.762 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.823 2.517 4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.755 1.965 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.598 4.147 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.461 4.715 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 20.684 5.530 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.188 4.496 5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.290 3.946 3.934 1.00 0.00 H new ATOM 508 N LEU A 36 13.671 0.971 4.182 1.00 0.00 N ATOM 509 CA LEU A 36 12.583 0.612 5.085 1.00 0.00 C ATOM 510 C LEU A 36 13.113 -0.125 6.310 1.00 0.00 C ATOM 511 O LEU A 36 14.046 -0.923 6.213 1.00 0.00 O ATOM 512 CB LEU A 36 11.555 -0.257 4.357 1.00 0.00 C ATOM 513 CG LEU A 36 10.163 -0.319 4.986 1.00 0.00 C ATOM 514 CD1 LEU A 36 9.375 0.940 4.660 1.00 0.00 C ATOM 515 CD2 LEU A 36 9.416 -1.556 4.508 1.00 0.00 C ATOM 0 H LEU A 36 14.172 0.175 3.789 1.00 0.00 H new ATOM 0 HA LEU A 36 12.101 1.532 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.454 0.112 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.948 -1.272 4.292 1.00 0.00 H new ATOM 0 HG LEU A 36 10.276 -0.383 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.387 0.879 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.902 1.810 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.271 1.034 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.427 -1.584 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.313 -1.522 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.972 -2.449 4.792 1.00 0.00 H new ATOM 527 N PHE A 37 12.510 0.144 7.463 1.00 0.00 N ATOM 528 CA PHE A 37 12.920 -0.495 8.708 1.00 0.00 C ATOM 529 C PHE A 37 11.714 -0.769 9.603 1.00 0.00 C ATOM 530 O PHE A 37 10.787 0.037 9.678 1.00 0.00 O ATOM 531 CB PHE A 37 13.929 0.385 9.450 1.00 0.00 C ATOM 532 CG PHE A 37 15.096 0.804 8.601 1.00 0.00 C ATOM 533 CD1 PHE A 37 15.978 -0.139 8.099 1.00 0.00 C ATOM 534 CD2 PHE A 37 15.310 2.141 8.308 1.00 0.00 C ATOM 535 CE1 PHE A 37 17.052 0.243 7.317 1.00 0.00 C ATOM 536 CE2 PHE A 37 16.383 2.528 7.527 1.00 0.00 C ATOM 537 CZ PHE A 37 17.255 1.579 7.032 1.00 0.00 C ATOM 0 H PHE A 37 11.735 0.800 7.561 1.00 0.00 H new ATOM 0 HA PHE A 37 13.390 -1.447 8.460 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.420 1.275 9.819 1.00 0.00 H new ATOM 0 HB3 PHE A 37 14.299 -0.155 10.321 1.00 0.00 H new ATOM 0 HD1 PHE A 37 15.825 -1.185 8.321 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.632 2.888 8.693 1.00 0.00 H new ATOM 0 HE1 PHE A 37 17.731 -0.502 6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 37 16.539 3.573 7.304 1.00 0.00 H new ATOM 0 HZ PHE A 37 18.094 1.881 6.423 1.00 0.00 H new ATOM 547 N VAL A 38 11.734 -1.913 10.279 1.00 0.00 N ATOM 548 CA VAL A 38 10.643 -2.295 11.168 1.00 0.00 C ATOM 549 C VAL A 38 11.158 -2.598 12.571 1.00 0.00 C ATOM 550 O VAL A 38 12.279 -3.079 12.741 1.00 0.00 O ATOM 551 CB VAL A 38 9.887 -3.525 10.634 1.00 0.00 C ATOM 552 CG1 VAL A 38 8.807 -3.104 9.648 1.00 0.00 C ATOM 553 CG2 VAL A 38 10.855 -4.505 9.988 1.00 0.00 C ATOM 0 H VAL A 38 12.494 -2.592 10.228 1.00 0.00 H new ATOM 0 HA VAL A 38 9.958 -1.448 11.210 1.00 0.00 H new ATOM 0 HB VAL A 38 9.404 -4.024 11.474 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.284 -3.988 9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.098 -2.443 10.146 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.265 -2.580 8.809 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.304 -5.369 9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.368 -4.017 9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.588 -4.832 10.726 1.00 0.00 H new ATOM 563 N PHE A 39 10.333 -2.314 13.572 1.00 0.00 N ATOM 564 CA PHE A 39 10.704 -2.555 14.962 1.00 0.00 C ATOM 565 C PHE A 39 10.237 -3.934 15.418 1.00 0.00 C ATOM 566 O PHE A 39 9.046 -4.156 15.639 1.00 0.00 O ATOM 567 CB PHE A 39 10.107 -1.476 15.867 1.00 0.00 C ATOM 568 CG PHE A 39 10.546 -1.584 17.299 1.00 0.00 C ATOM 569 CD1 PHE A 39 9.888 -2.429 18.178 1.00 0.00 C ATOM 570 CD2 PHE A 39 11.618 -0.840 17.766 1.00 0.00 C ATOM 571 CE1 PHE A 39 10.290 -2.531 19.496 1.00 0.00 C ATOM 572 CE2 PHE A 39 12.024 -0.938 19.084 1.00 0.00 C ATOM 573 CZ PHE A 39 11.359 -1.784 19.950 1.00 0.00 C ATOM 0 H PHE A 39 9.402 -1.916 13.447 1.00 0.00 H new ATOM 0 HA PHE A 39 11.791 -2.517 15.033 1.00 0.00 H new ATOM 0 HB2 PHE A 39 10.387 -0.495 15.483 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.020 -1.537 15.823 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.051 -3.015 17.829 1.00 0.00 H new ATOM 0 HD2 PHE A 39 12.142 -0.177 17.093 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.769 -3.194 20.170 1.00 0.00 H new ATOM 0 HE2 PHE A 39 12.861 -0.353 19.436 1.00 0.00 H new ATOM 0 HZ PHE A 39 11.674 -1.861 20.980 1.00 0.00 H new ATOM 583 N ASP A 40 11.182 -4.857 15.556 1.00 0.00 N ATOM 584 CA ASP A 40 10.869 -6.215 15.985 1.00 0.00 C ATOM 585 C ASP A 40 11.039 -6.359 17.495 1.00 0.00 C ATOM 586 O ASP A 40 12.159 -6.441 17.999 1.00 0.00 O ATOM 587 CB ASP A 40 11.762 -7.222 15.260 1.00 0.00 C ATOM 588 CG ASP A 40 11.196 -8.627 15.291 1.00 0.00 C ATOM 589 OD1 ASP A 40 10.407 -8.928 16.212 1.00 0.00 O ATOM 590 OD2 ASP A 40 11.540 -9.426 14.395 1.00 0.00 O ATOM 0 H ASP A 40 12.172 -4.689 15.377 1.00 0.00 H new ATOM 0 HA ASP A 40 9.828 -6.419 15.733 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.891 -6.908 14.224 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.751 -7.222 15.719 1.00 0.00 H new ATOM 595 N LYS A 41 9.920 -6.390 18.210 1.00 0.00 N ATOM 596 CA LYS A 41 9.944 -6.525 19.663 1.00 0.00 C ATOM 597 C LYS A 41 11.053 -7.476 20.102 1.00 0.00 C ATOM 598 O LYS A 41 11.605 -7.339 21.195 1.00 0.00 O ATOM 599 CB LYS A 41 8.591 -7.031 20.170 1.00 0.00 C ATOM 600 CG LYS A 41 8.250 -6.551 21.570 1.00 0.00 C ATOM 601 CD LYS A 41 7.703 -5.133 21.556 1.00 0.00 C ATOM 602 CE LYS A 41 6.226 -5.109 21.198 1.00 0.00 C ATOM 603 NZ LYS A 41 5.377 -5.635 22.303 1.00 0.00 N ATOM 0 H LYS A 41 8.985 -6.324 17.808 1.00 0.00 H new ATOM 0 HA LYS A 41 10.142 -5.543 20.092 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.810 -6.706 19.483 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.592 -8.121 20.159 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.515 -7.221 22.016 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.141 -6.592 22.197 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.849 -4.676 22.535 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.262 -4.533 20.838 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.926 -4.087 20.965 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.061 -5.703 20.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.387 -5.358 22.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.446 -6.672 22.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.704 -5.242 23.209 1.00 0.00 H new ATOM 617 N THR A 42 11.374 -8.439 19.245 1.00 0.00 N ATOM 618 CA THR A 42 12.416 -9.413 19.545 1.00 0.00 C ATOM 619 C THR A 42 13.749 -8.725 19.821 1.00 0.00 C ATOM 620 O THR A 42 14.421 -9.026 20.807 1.00 0.00 O ATOM 621 CB THR A 42 12.600 -10.415 18.389 1.00 0.00 C ATOM 622 OG1 THR A 42 11.406 -11.189 18.219 1.00 0.00 O ATOM 623 CG2 THR A 42 13.776 -11.341 18.657 1.00 0.00 C ATOM 0 H THR A 42 10.927 -8.566 18.337 1.00 0.00 H new ATOM 0 HA THR A 42 12.096 -9.952 20.436 1.00 0.00 H new ATOM 0 HB THR A 42 12.802 -9.852 17.478 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.813 -10.740 17.581 1.00 0.00 H new ATOM 0 HG21 THR A 42 13.886 -12.039 17.827 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.687 -10.752 18.758 1.00 0.00 H new ATOM 0 HG23 THR A 42 13.599 -11.897 19.578 1.00 0.00 H new ATOM 631 N SER A 43 14.122 -7.797 18.946 1.00 0.00 N ATOM 632 CA SER A 43 15.376 -7.068 19.094 1.00 0.00 C ATOM 633 C SER A 43 15.150 -5.737 19.804 1.00 0.00 C ATOM 634 O SER A 43 16.074 -5.166 20.383 1.00 0.00 O ATOM 635 CB SER A 43 16.016 -6.827 17.726 1.00 0.00 C ATOM 636 OG SER A 43 16.651 -7.999 17.245 1.00 0.00 O ATOM 0 H SER A 43 13.574 -7.532 18.127 1.00 0.00 H new ATOM 0 HA SER A 43 16.050 -7.674 19.700 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.254 -6.506 17.016 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.744 -6.019 17.799 1.00 0.00 H new ATOM 0 HG SER A 43 17.050 -7.818 16.369 1.00 0.00 H new ATOM 642 N GLN A 44 13.915 -5.250 19.755 1.00 0.00 N ATOM 643 CA GLN A 44 13.566 -3.986 20.392 1.00 0.00 C ATOM 644 C GLN A 44 14.250 -2.817 19.692 1.00 0.00 C ATOM 645 O GLN A 44 14.599 -1.820 20.324 1.00 0.00 O ATOM 646 CB GLN A 44 13.959 -4.011 21.871 1.00 0.00 C ATOM 647 CG GLN A 44 13.556 -5.290 22.585 1.00 0.00 C ATOM 648 CD GLN A 44 12.169 -5.208 23.192 1.00 0.00 C ATOM 649 OE1 GLN A 44 12.004 -5.312 24.408 1.00 0.00 O ATOM 650 NE2 GLN A 44 11.162 -5.020 22.347 1.00 0.00 N ATOM 0 H GLN A 44 13.139 -5.712 19.281 1.00 0.00 H new ATOM 0 HA GLN A 44 12.487 -3.853 20.312 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.038 -3.883 21.954 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.498 -3.162 22.376 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.592 -6.121 21.881 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.280 -5.507 23.371 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.344 -4.939 21.347 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.207 -4.956 22.698 1.00 0.00 H new ATOM 659 N SER A 45 14.438 -2.945 18.382 1.00 0.00 N ATOM 660 CA SER A 45 15.084 -1.901 17.597 1.00 0.00 C ATOM 661 C SER A 45 14.712 -2.021 16.122 1.00 0.00 C ATOM 662 O SER A 45 13.936 -2.896 15.736 1.00 0.00 O ATOM 663 CB SER A 45 16.603 -1.978 17.759 1.00 0.00 C ATOM 664 OG SER A 45 17.227 -0.793 17.291 1.00 0.00 O ATOM 0 H SER A 45 14.152 -3.762 17.843 1.00 0.00 H new ATOM 0 HA SER A 45 14.735 -0.936 17.965 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.852 -2.134 18.809 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.987 -2.837 17.209 1.00 0.00 H new ATOM 0 HG SER A 45 16.625 -0.031 17.425 1.00 0.00 H new ATOM 670 N TRP A 46 15.271 -1.138 15.303 1.00 0.00 N ATOM 671 CA TRP A 46 14.998 -1.144 13.871 1.00 0.00 C ATOM 672 C TRP A 46 15.762 -2.266 13.176 1.00 0.00 C ATOM 673 O TRP A 46 16.989 -2.331 13.246 1.00 0.00 O ATOM 674 CB TRP A 46 15.374 0.203 13.253 1.00 0.00 C ATOM 675 CG TRP A 46 14.714 1.370 13.924 1.00 0.00 C ATOM 676 CD1 TRP A 46 15.333 2.395 14.582 1.00 0.00 C ATOM 677 CD2 TRP A 46 13.309 1.630 14.006 1.00 0.00 C ATOM 678 NE1 TRP A 46 14.397 3.275 15.067 1.00 0.00 N ATOM 679 CE2 TRP A 46 13.147 2.828 14.726 1.00 0.00 C ATOM 680 CE3 TRP A 46 12.171 0.967 13.539 1.00 0.00 C ATOM 681 CZ2 TRP A 46 11.894 3.376 14.990 1.00 0.00 C ATOM 682 CZ3 TRP A 46 10.928 1.511 13.801 1.00 0.00 C ATOM 683 CH2 TRP A 46 10.798 2.706 14.520 1.00 0.00 C ATOM 0 H TRP A 46 15.916 -0.409 15.606 1.00 0.00 H new ATOM 0 HA TRP A 46 13.931 -1.315 13.731 1.00 0.00 H new ATOM 0 HB2 TRP A 46 16.456 0.328 13.303 1.00 0.00 H new ATOM 0 HB3 TRP A 46 15.102 0.199 12.197 1.00 0.00 H new ATOM 0 HD1 TRP A 46 16.401 2.498 14.703 1.00 0.00 H new ATOM 0 HE1 TRP A 46 14.599 4.124 15.595 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.261 0.046 12.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 11.792 4.296 15.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.042 1.006 13.445 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.813 3.106 14.707 1.00 0.00 H new ATOM 694 N VAL A 47 15.027 -3.149 12.505 1.00 0.00 N ATOM 695 CA VAL A 47 15.637 -4.269 11.797 1.00 0.00 C ATOM 696 C VAL A 47 15.538 -4.082 10.288 1.00 0.00 C ATOM 697 O VAL A 47 14.509 -3.649 9.772 1.00 0.00 O ATOM 698 CB VAL A 47 14.974 -5.604 12.183 1.00 0.00 C ATOM 699 CG1 VAL A 47 15.634 -6.760 11.448 1.00 0.00 C ATOM 700 CG2 VAL A 47 15.036 -5.814 13.689 1.00 0.00 C ATOM 0 H VAL A 47 14.010 -3.110 12.437 1.00 0.00 H new ATOM 0 HA VAL A 47 16.687 -4.296 12.089 1.00 0.00 H new ATOM 0 HB VAL A 47 13.926 -5.568 11.887 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.152 -7.695 11.733 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.532 -6.613 10.373 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.691 -6.802 11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.563 -6.762 13.944 1.00 0.00 H new ATOM 0 HG22 VAL A 47 16.077 -5.830 14.012 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.513 -5.001 14.192 1.00 0.00 H new ATOM 710 N GLU A 48 16.617 -4.413 9.584 1.00 0.00 N ATOM 711 CA GLU A 48 16.652 -4.282 8.132 1.00 0.00 C ATOM 712 C GLU A 48 15.575 -5.146 7.482 1.00 0.00 C ATOM 713 O GLU A 48 15.594 -6.371 7.599 1.00 0.00 O ATOM 714 CB GLU A 48 18.029 -4.673 7.595 1.00 0.00 C ATOM 715 CG GLU A 48 18.078 -4.802 6.081 1.00 0.00 C ATOM 716 CD GLU A 48 19.252 -5.635 5.605 1.00 0.00 C ATOM 717 OE1 GLU A 48 20.404 -5.284 5.935 1.00 0.00 O ATOM 718 OE2 GLU A 48 19.018 -6.640 4.901 1.00 0.00 O ATOM 0 H GLU A 48 17.478 -4.774 9.996 1.00 0.00 H new ATOM 0 HA GLU A 48 16.456 -3.239 7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.758 -3.927 7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.328 -5.621 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.150 -5.253 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.138 -3.808 5.637 1.00 0.00 H new ATOM 725 N ARG A 49 14.638 -4.498 6.798 1.00 0.00 N ATOM 726 CA ARG A 49 13.552 -5.207 6.130 1.00 0.00 C ATOM 727 C ARG A 49 13.778 -5.251 4.621 1.00 0.00 C ATOM 728 O ARG A 49 13.727 -6.315 4.006 1.00 0.00 O ATOM 729 CB ARG A 49 12.213 -4.536 6.436 1.00 0.00 C ATOM 730 CG ARG A 49 11.040 -5.503 6.467 1.00 0.00 C ATOM 731 CD ARG A 49 11.162 -6.560 5.381 1.00 0.00 C ATOM 732 NE ARG A 49 11.989 -7.686 5.805 1.00 0.00 N ATOM 733 CZ ARG A 49 11.652 -8.519 6.783 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.511 -8.352 7.436 1.00 0.00 N ATOM 735 NH2 ARG A 49 12.459 -9.520 7.111 1.00 0.00 N ATOM 0 H ARG A 49 14.608 -3.484 6.692 1.00 0.00 H new ATOM 0 HA ARG A 49 13.533 -6.230 6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.281 -4.030 7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 49 12.021 -3.769 5.686 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.991 -5.986 7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.109 -4.952 6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.169 -6.920 5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.592 -6.112 4.485 1.00 0.00 H new ATOM 0 HE ARG A 49 12.875 -7.842 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.889 -7.582 7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.254 -8.993 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.339 -9.650 6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.199 -10.159 7.862 1.00 0.00 H new ATOM 749 N GLY A 50 14.028 -4.085 4.031 1.00 0.00 N ATOM 750 CA GLY A 50 14.257 -4.013 2.600 1.00 0.00 C ATOM 751 C GLY A 50 14.627 -2.616 2.142 1.00 0.00 C ATOM 752 O GLY A 50 13.912 -1.653 2.424 1.00 0.00 O ATOM 0 H GLY A 50 14.076 -3.190 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.054 -4.705 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.359 -4.339 2.075 1.00 0.00 H new ATOM 756 N ARG A 51 15.747 -2.504 1.437 1.00 0.00 N ATOM 757 CA ARG A 51 16.212 -1.213 0.942 1.00 0.00 C ATOM 758 C ARG A 51 16.199 -1.180 -0.584 1.00 0.00 C ATOM 759 O ARG A 51 16.653 -2.116 -1.240 1.00 0.00 O ATOM 760 CB ARG A 51 17.623 -0.924 1.457 1.00 0.00 C ATOM 761 CG ARG A 51 18.630 -2.013 1.120 1.00 0.00 C ATOM 762 CD ARG A 51 18.706 -3.059 2.221 1.00 0.00 C ATOM 763 NE ARG A 51 19.390 -2.555 3.409 1.00 0.00 N ATOM 764 CZ ARG A 51 20.712 -2.484 3.523 1.00 0.00 C ATOM 765 NH1 ARG A 51 21.488 -2.883 2.525 1.00 0.00 N ATOM 766 NH2 ARG A 51 21.259 -2.012 4.636 1.00 0.00 N ATOM 0 H ARG A 51 16.350 -3.291 1.195 1.00 0.00 H new ATOM 0 HA ARG A 51 15.533 -0.444 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.968 0.021 1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 51 17.587 -0.797 2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 51 18.351 -2.491 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 51 19.614 -1.568 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 51 17.698 -3.376 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 51 19.228 -3.940 1.848 1.00 0.00 H new ATOM 0 HE ARG A 51 18.821 -2.240 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 51 21.070 -3.245 1.668 1.00 0.00 H new ATOM 0 HH12 ARG A 51 22.503 -2.828 2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 51 20.665 -1.703 5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 51 22.274 -1.958 4.722 1.00 0.00 H new ATOM 780 N GLY A 52 15.674 -0.093 -1.142 1.00 0.00 N ATOM 781 CA GLY A 52 15.611 0.043 -2.586 1.00 0.00 C ATOM 782 C GLY A 52 14.949 1.335 -3.018 1.00 0.00 C ATOM 783 O GLY A 52 15.276 2.409 -2.511 1.00 0.00 O ATOM 0 H GLY A 52 15.291 0.695 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.620 0.001 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 52 15.061 -0.801 -3.004 1.00 0.00 H new ATOM 787 N LEU A 53 14.016 1.235 -3.958 1.00 0.00 N ATOM 788 CA LEU A 53 13.306 2.407 -4.461 1.00 0.00 C ATOM 789 C LEU A 53 11.938 2.540 -3.800 1.00 0.00 C ATOM 790 O LEU A 53 11.315 1.543 -3.433 1.00 0.00 O ATOM 791 CB LEU A 53 13.145 2.317 -5.980 1.00 0.00 C ATOM 792 CG LEU A 53 12.257 3.382 -6.625 1.00 0.00 C ATOM 793 CD1 LEU A 53 12.854 4.767 -6.428 1.00 0.00 C ATOM 794 CD2 LEU A 53 12.062 3.088 -8.104 1.00 0.00 C ATOM 0 H LEU A 53 13.733 0.354 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 53 13.895 3.291 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.134 2.374 -6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.738 1.336 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 53 11.282 3.358 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.208 5.511 -6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.940 4.978 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.842 4.806 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.428 3.856 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.030 3.084 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.588 2.113 -8.222 1.00 0.00 H new ATOM 806 N LEU A 54 11.477 3.777 -3.652 1.00 0.00 N ATOM 807 CA LEU A 54 10.180 4.041 -3.037 1.00 0.00 C ATOM 808 C LEU A 54 9.432 5.135 -3.793 1.00 0.00 C ATOM 809 O LEU A 54 9.991 6.189 -4.095 1.00 0.00 O ATOM 810 CB LEU A 54 10.362 4.449 -1.574 1.00 0.00 C ATOM 811 CG LEU A 54 9.142 5.073 -0.896 1.00 0.00 C ATOM 812 CD1 LEU A 54 8.297 4.000 -0.226 1.00 0.00 C ATOM 813 CD2 LEU A 54 9.574 6.123 0.118 1.00 0.00 C ATOM 0 H LEU A 54 11.981 4.613 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 54 9.590 3.126 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.658 3.567 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 54 11.188 5.158 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 54 8.536 5.561 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.433 4.463 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.958 3.284 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.894 3.484 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.693 6.557 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.202 5.658 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.137 6.907 -0.388 1.00 0.00 H new ATOM 825 N ARG A 55 8.164 4.877 -4.095 1.00 0.00 N ATOM 826 CA ARG A 55 7.338 5.839 -4.814 1.00 0.00 C ATOM 827 C ARG A 55 5.868 5.685 -4.435 1.00 0.00 C ATOM 828 O ARG A 55 5.424 4.600 -4.055 1.00 0.00 O ATOM 829 CB ARG A 55 7.509 5.661 -6.323 1.00 0.00 C ATOM 830 CG ARG A 55 6.807 4.430 -6.875 1.00 0.00 C ATOM 831 CD ARG A 55 7.720 3.214 -6.857 1.00 0.00 C ATOM 832 NE ARG A 55 7.150 2.091 -7.596 1.00 0.00 N ATOM 833 CZ ARG A 55 7.142 2.012 -8.922 1.00 0.00 C ATOM 834 NH1 ARG A 55 7.671 2.985 -9.651 1.00 0.00 N ATOM 835 NH2 ARG A 55 6.604 0.957 -9.522 1.00 0.00 N ATOM 0 H ARG A 55 7.686 4.009 -3.853 1.00 0.00 H new ATOM 0 HA ARG A 55 7.663 6.841 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.125 6.546 -6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.572 5.597 -6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.913 4.224 -6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.478 4.624 -7.896 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.685 3.479 -7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.903 2.914 -5.825 1.00 0.00 H new ATOM 0 HE ARG A 55 6.735 1.325 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.086 3.797 -9.194 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.663 2.921 -10.669 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.196 0.206 -8.965 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.598 0.897 -10.540 1.00 0.00 H new ATOM 849 N LEU A 56 5.118 6.776 -4.540 1.00 0.00 N ATOM 850 CA LEU A 56 3.697 6.762 -4.208 1.00 0.00 C ATOM 851 C LEU A 56 2.846 6.610 -5.465 1.00 0.00 C ATOM 852 O LEU A 56 2.799 7.506 -6.307 1.00 0.00 O ATOM 853 CB LEU A 56 3.313 8.047 -3.472 1.00 0.00 C ATOM 854 CG LEU A 56 1.876 8.529 -3.668 1.00 0.00 C ATOM 855 CD1 LEU A 56 0.910 7.666 -2.871 1.00 0.00 C ATOM 856 CD2 LEU A 56 1.743 9.991 -3.265 1.00 0.00 C ATOM 0 H LEU A 56 5.469 7.681 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 56 3.509 5.907 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.482 7.896 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.988 8.841 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 56 1.625 8.440 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.108 8.024 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.985 6.632 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.160 7.723 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.713 10.317 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.014 10.105 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.407 10.600 -3.879 1.00 0.00 H new ATOM 868 N ASN A 57 2.174 5.470 -5.584 1.00 0.00 N ATOM 869 CA ASN A 57 1.322 5.201 -6.737 1.00 0.00 C ATOM 870 C ASN A 57 -0.134 5.534 -6.427 1.00 0.00 C ATOM 871 O ASN A 57 -0.658 5.160 -5.378 1.00 0.00 O ATOM 872 CB ASN A 57 1.444 3.734 -7.155 1.00 0.00 C ATOM 873 CG ASN A 57 1.019 2.781 -6.054 1.00 0.00 C ATOM 874 OD1 ASN A 57 1.527 2.844 -4.935 1.00 0.00 O ATOM 875 ND2 ASN A 57 0.084 1.893 -6.369 1.00 0.00 N ATOM 0 H ASN A 57 2.203 4.717 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 57 1.654 5.835 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.831 3.559 -8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.476 3.524 -7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.242 1.226 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.309 1.878 -7.310 1.00 0.00 H new ATOM 882 N ASP A 58 -0.782 6.240 -7.348 1.00 0.00 N ATOM 883 CA ASP A 58 -2.178 6.622 -7.175 1.00 0.00 C ATOM 884 C ASP A 58 -3.107 5.599 -7.822 1.00 0.00 C ATOM 885 O ASP A 58 -2.971 5.283 -9.003 1.00 0.00 O ATOM 886 CB ASP A 58 -2.429 8.007 -7.776 1.00 0.00 C ATOM 887 CG ASP A 58 -1.200 8.893 -7.719 1.00 0.00 C ATOM 888 OD1 ASP A 58 -0.224 8.601 -8.441 1.00 0.00 O ATOM 889 OD2 ASP A 58 -1.214 9.879 -6.952 1.00 0.00 O ATOM 0 H ASP A 58 -0.362 6.559 -8.221 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.389 6.654 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.747 7.898 -8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.247 8.490 -7.241 1.00 0.00 H new ATOM 894 N MET A 59 -4.048 5.083 -7.037 1.00 0.00 N ATOM 895 CA MET A 59 -4.999 4.094 -7.534 1.00 0.00 C ATOM 896 C MET A 59 -6.433 4.556 -7.300 1.00 0.00 C ATOM 897 O MET A 59 -6.690 5.414 -6.457 1.00 0.00 O ATOM 898 CB MET A 59 -4.766 2.745 -6.852 1.00 0.00 C ATOM 899 CG MET A 59 -5.062 2.759 -5.361 1.00 0.00 C ATOM 900 SD MET A 59 -4.423 1.301 -4.512 1.00 0.00 S ATOM 901 CE MET A 59 -4.816 1.700 -2.811 1.00 0.00 C ATOM 0 H MET A 59 -4.172 5.333 -6.056 1.00 0.00 H new ATOM 0 HA MET A 59 -4.843 3.981 -8.607 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.392 1.992 -7.331 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.730 2.444 -7.006 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.626 3.654 -4.916 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.140 2.820 -5.209 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.482 0.891 -2.161 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.312 2.624 -2.528 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.893 1.827 -2.707 1.00 0.00 H new ATOM 911 N ALA A 60 -7.365 3.979 -8.053 1.00 0.00 N ATOM 912 CA ALA A 60 -8.775 4.330 -7.926 1.00 0.00 C ATOM 913 C ALA A 60 -9.454 3.491 -6.849 1.00 0.00 C ATOM 914 O ALA A 60 -9.114 2.325 -6.650 1.00 0.00 O ATOM 915 CB ALA A 60 -9.484 4.154 -9.261 1.00 0.00 C ATOM 0 H ALA A 60 -7.169 3.267 -8.757 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.839 5.377 -7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.536 4.419 -9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.022 4.801 -10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -9.403 3.115 -9.582 1.00 0.00 H new ATOM 921 N SER A 61 -10.415 4.093 -6.156 1.00 0.00 N ATOM 922 CA SER A 61 -11.140 3.402 -5.095 1.00 0.00 C ATOM 923 C SER A 61 -12.288 2.578 -5.669 1.00 0.00 C ATOM 924 O SER A 61 -12.779 2.852 -6.766 1.00 0.00 O ATOM 925 CB SER A 61 -11.679 4.409 -4.077 1.00 0.00 C ATOM 926 OG SER A 61 -11.737 3.842 -2.780 1.00 0.00 O ATOM 0 H SER A 61 -10.710 5.057 -6.310 1.00 0.00 H new ATOM 0 HA SER A 61 -10.446 2.727 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.041 5.293 -4.063 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.673 4.738 -4.378 1.00 0.00 H new ATOM 0 HG SER A 61 -12.541 3.287 -2.701 1.00 0.00 H new ATOM 932 N THR A 62 -12.713 1.565 -4.921 1.00 0.00 N ATOM 933 CA THR A 62 -13.804 0.699 -5.354 1.00 0.00 C ATOM 934 C THR A 62 -15.121 1.107 -4.705 1.00 0.00 C ATOM 935 O THR A 62 -16.103 1.381 -5.394 1.00 0.00 O ATOM 936 CB THR A 62 -13.515 -0.776 -5.019 1.00 0.00 C ATOM 937 OG1 THR A 62 -14.737 -1.457 -4.714 1.00 0.00 O ATOM 938 CG2 THR A 62 -12.560 -0.888 -3.840 1.00 0.00 C ATOM 0 H THR A 62 -12.319 1.323 -4.012 1.00 0.00 H new ATOM 0 HA THR A 62 -13.886 0.810 -6.435 1.00 0.00 H new ATOM 0 HB THR A 62 -13.048 -1.237 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.545 -2.395 -4.504 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.372 -1.939 -3.623 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.620 -0.394 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.003 -0.411 -2.966 1.00 0.00 H new ATOM 946 N ASP A 63 -15.134 1.146 -3.378 1.00 0.00 N ATOM 947 CA ASP A 63 -16.332 1.523 -2.636 1.00 0.00 C ATOM 948 C ASP A 63 -16.484 3.040 -2.583 1.00 0.00 C ATOM 949 O ASP A 63 -17.547 3.556 -2.236 1.00 0.00 O ATOM 950 CB ASP A 63 -16.279 0.953 -1.217 1.00 0.00 C ATOM 951 CG ASP A 63 -16.283 -0.562 -1.201 1.00 0.00 C ATOM 952 OD1 ASP A 63 -17.222 -1.160 -1.766 1.00 0.00 O ATOM 953 OD2 ASP A 63 -15.345 -1.152 -0.624 1.00 0.00 O ATOM 0 H ASP A 63 -14.329 0.921 -2.793 1.00 0.00 H new ATOM 0 HA ASP A 63 -17.196 1.108 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.382 1.316 -0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -17.133 1.322 -0.648 1.00 0.00 H new ATOM 958 N ASP A 64 -15.415 3.749 -2.928 1.00 0.00 N ATOM 959 CA ASP A 64 -15.428 5.207 -2.919 1.00 0.00 C ATOM 960 C ASP A 64 -15.278 5.759 -4.334 1.00 0.00 C ATOM 961 O ASP A 64 -15.634 6.906 -4.604 1.00 0.00 O ATOM 962 CB ASP A 64 -14.308 5.744 -2.027 1.00 0.00 C ATOM 963 CG ASP A 64 -14.748 5.915 -0.587 1.00 0.00 C ATOM 964 OD1 ASP A 64 -15.343 4.969 -0.030 1.00 0.00 O ATOM 965 OD2 ASP A 64 -14.495 6.996 -0.014 1.00 0.00 O ATOM 0 H ASP A 64 -14.528 3.337 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.387 5.535 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.458 5.063 -2.066 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.966 6.703 -2.416 1.00 0.00 H new ATOM 970 N GLY A 65 -14.748 4.936 -5.233 1.00 0.00 N ATOM 971 CA GLY A 65 -14.558 5.360 -6.608 1.00 0.00 C ATOM 972 C GLY A 65 -13.734 6.628 -6.714 1.00 0.00 C ATOM 973 O GLY A 65 -13.666 7.247 -7.777 1.00 0.00 O ATOM 0 H GLY A 65 -14.446 3.982 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.067 4.563 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.530 5.522 -7.073 1.00 0.00 H new ATOM 977 N THR A 66 -13.105 7.018 -5.610 1.00 0.00 N ATOM 978 CA THR A 66 -12.283 8.221 -5.582 1.00 0.00 C ATOM 979 C THR A 66 -10.805 7.882 -5.744 1.00 0.00 C ATOM 980 O THR A 66 -10.427 6.711 -5.778 1.00 0.00 O ATOM 981 CB THR A 66 -12.478 9.006 -4.272 1.00 0.00 C ATOM 982 OG1 THR A 66 -11.779 10.254 -4.338 1.00 0.00 O ATOM 983 CG2 THR A 66 -11.978 8.202 -3.081 1.00 0.00 C ATOM 0 H THR A 66 -13.149 6.517 -4.722 1.00 0.00 H new ATOM 0 HA THR A 66 -12.604 8.841 -6.419 1.00 0.00 H new ATOM 0 HB THR A 66 -13.544 9.194 -4.143 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.382 10.981 -4.077 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.126 8.776 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.533 7.266 -3.015 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.917 7.987 -3.207 1.00 0.00 H new ATOM 991 N LEU A 67 -9.974 8.914 -5.841 1.00 0.00 N ATOM 992 CA LEU A 67 -8.536 8.725 -5.997 1.00 0.00 C ATOM 993 C LEU A 67 -7.922 8.142 -4.728 1.00 0.00 C ATOM 994 O LEU A 67 -7.656 8.865 -3.768 1.00 0.00 O ATOM 995 CB LEU A 67 -7.861 10.054 -6.340 1.00 0.00 C ATOM 996 CG LEU A 67 -6.408 9.968 -6.807 1.00 0.00 C ATOM 997 CD1 LEU A 67 -5.505 9.525 -5.666 1.00 0.00 C ATOM 998 CD2 LEU A 67 -6.282 9.016 -7.989 1.00 0.00 C ATOM 0 H LEU A 67 -10.271 9.889 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.374 8.021 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.444 10.544 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.902 10.697 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.092 10.960 -7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.475 9.470 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.571 10.244 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.821 8.544 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.241 8.968 -8.308 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.618 8.022 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.897 9.376 -8.813 1.00 0.00 H new ATOM 1010 N GLN A 68 -7.698 6.832 -4.733 1.00 0.00 N ATOM 1011 CA GLN A 68 -7.114 6.154 -3.582 1.00 0.00 C ATOM 1012 C GLN A 68 -5.590 6.168 -3.657 1.00 0.00 C ATOM 1013 O GLN A 68 -5.013 6.464 -4.703 1.00 0.00 O ATOM 1014 CB GLN A 68 -7.618 4.712 -3.502 1.00 0.00 C ATOM 1015 CG GLN A 68 -8.882 4.555 -2.673 1.00 0.00 C ATOM 1016 CD GLN A 68 -8.591 4.369 -1.196 1.00 0.00 C ATOM 1017 OE1 GLN A 68 -7.769 5.081 -0.620 1.00 0.00 O ATOM 1018 NE2 GLN A 68 -9.266 3.408 -0.577 1.00 0.00 N ATOM 0 H GLN A 68 -7.912 6.220 -5.520 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.421 6.689 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.807 4.345 -4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.834 4.085 -3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.512 5.434 -2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.448 3.698 -3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.938 2.842 -1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.113 3.236 0.417 1.00 0.00 H new ATOM 1027 N SER A 69 -4.945 5.846 -2.540 1.00 0.00 N ATOM 1028 CA SER A 69 -3.487 5.826 -2.479 1.00 0.00 C ATOM 1029 C SER A 69 -2.997 4.680 -1.602 1.00 0.00 C ATOM 1030 O SER A 69 -3.754 4.124 -0.806 1.00 0.00 O ATOM 1031 CB SER A 69 -2.961 7.158 -1.939 1.00 0.00 C ATOM 1032 OG SER A 69 -3.039 8.174 -2.924 1.00 0.00 O ATOM 0 H SER A 69 -5.408 5.596 -1.666 1.00 0.00 H new ATOM 0 HA SER A 69 -3.107 5.676 -3.489 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.538 7.452 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.927 7.040 -1.615 1.00 0.00 H new ATOM 0 HG SER A 69 -3.511 7.831 -3.711 1.00 0.00 H new ATOM 1038 N ARG A 70 -1.724 4.329 -1.753 1.00 0.00 N ATOM 1039 CA ARG A 70 -1.131 3.248 -0.976 1.00 0.00 C ATOM 1040 C ARG A 70 0.371 3.458 -0.809 1.00 0.00 C ATOM 1041 O ARG A 70 0.958 4.346 -1.430 1.00 0.00 O ATOM 1042 CB ARG A 70 -1.396 1.901 -1.652 1.00 0.00 C ATOM 1043 CG ARG A 70 -0.768 1.778 -3.031 1.00 0.00 C ATOM 1044 CD ARG A 70 -0.425 0.333 -3.360 1.00 0.00 C ATOM 1045 NE ARG A 70 -1.588 -0.408 -3.842 1.00 0.00 N ATOM 1046 CZ ARG A 70 -1.504 -1.562 -4.496 1.00 0.00 C ATOM 1047 NH1 ARG A 70 -0.319 -2.103 -4.743 1.00 0.00 N ATOM 1048 NH2 ARG A 70 -2.607 -2.177 -4.903 1.00 0.00 N ATOM 0 H ARG A 70 -1.083 4.778 -2.407 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.592 3.249 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.014 1.103 -1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.472 1.752 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.455 2.170 -3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.135 2.387 -3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.359 0.310 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.026 -0.156 -2.472 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.514 -0.019 -3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.531 -1.633 -4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.257 -2.989 -5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.520 -1.764 -4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.542 -3.063 -5.405 1.00 0.00 H new ATOM 1062 N LEU A 71 0.988 2.638 0.035 1.00 0.00 N ATOM 1063 CA LEU A 71 2.422 2.734 0.284 1.00 0.00 C ATOM 1064 C LEU A 71 3.162 1.549 -0.327 1.00 0.00 C ATOM 1065 O LEU A 71 2.958 0.402 0.073 1.00 0.00 O ATOM 1066 CB LEU A 71 2.694 2.799 1.788 1.00 0.00 C ATOM 1067 CG LEU A 71 2.586 4.182 2.431 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.174 4.063 3.890 1.00 0.00 C ATOM 1069 CD2 LEU A 71 3.905 4.932 2.306 1.00 0.00 C ATOM 0 H LEU A 71 0.518 1.899 0.558 1.00 0.00 H new ATOM 0 HA LEU A 71 2.787 3.647 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.996 2.131 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.696 2.412 1.973 1.00 0.00 H new ATOM 0 HG LEU A 71 1.818 4.748 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.103 5.058 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.206 3.567 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.918 3.479 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.810 5.914 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.693 4.369 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.158 5.050 1.252 1.00 0.00 H new ATOM 1081 N VAL A 72 4.023 1.833 -1.298 1.00 0.00 N ATOM 1082 CA VAL A 72 4.797 0.791 -1.964 1.00 0.00 C ATOM 1083 C VAL A 72 6.293 1.001 -1.756 1.00 0.00 C ATOM 1084 O VAL A 72 6.765 2.133 -1.668 1.00 0.00 O ATOM 1085 CB VAL A 72 4.500 0.750 -3.474 1.00 0.00 C ATOM 1086 CG1 VAL A 72 5.715 0.254 -4.244 1.00 0.00 C ATOM 1087 CG2 VAL A 72 3.288 -0.126 -3.755 1.00 0.00 C ATOM 0 H VAL A 72 4.203 2.776 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 72 4.501 -0.158 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 72 4.275 1.762 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.486 0.232 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.556 0.924 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.974 -0.750 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.092 -0.144 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.483 -1.140 -3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.419 0.277 -3.234 1.00 0.00 H new ATOM 1097 N MET A 73 7.033 -0.100 -1.680 1.00 0.00 N ATOM 1098 CA MET A 73 8.478 -0.037 -1.484 1.00 0.00 C ATOM 1099 C MET A 73 9.172 -1.199 -2.188 1.00 0.00 C ATOM 1100 O MET A 73 9.083 -2.345 -1.749 1.00 0.00 O ATOM 1101 CB MET A 73 8.813 -0.055 0.007 1.00 0.00 C ATOM 1102 CG MET A 73 10.290 -0.269 0.296 1.00 0.00 C ATOM 1103 SD MET A 73 11.343 0.928 -0.547 1.00 0.00 S ATOM 1104 CE MET A 73 12.892 0.030 -0.610 1.00 0.00 C ATOM 0 H MET A 73 6.657 -1.046 -1.751 1.00 0.00 H new ATOM 0 HA MET A 73 8.839 0.896 -1.918 1.00 0.00 H new ATOM 0 HB2 MET A 73 8.497 0.888 0.453 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.238 -0.845 0.491 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.459 -0.203 1.371 1.00 0.00 H new ATOM 0 HG3 MET A 73 10.574 -1.276 -0.010 1.00 0.00 H new ATOM 0 HE1 MET A 73 13.621 0.517 0.037 1.00 0.00 H new ATOM 0 HE2 MET A 73 12.733 -0.994 -0.272 1.00 0.00 H new ATOM 0 HE3 MET A 73 13.265 0.020 -1.634 1.00 0.00 H new ATOM 1114 N ARG A 74 9.863 -0.895 -3.282 1.00 0.00 N ATOM 1115 CA ARG A 74 10.572 -1.914 -4.046 1.00 0.00 C ATOM 1116 C ARG A 74 12.054 -1.932 -3.684 1.00 0.00 C ATOM 1117 O ARG A 74 12.687 -0.884 -3.560 1.00 0.00 O ATOM 1118 CB ARG A 74 10.405 -1.666 -5.546 1.00 0.00 C ATOM 1119 CG ARG A 74 8.960 -1.725 -6.016 1.00 0.00 C ATOM 1120 CD ARG A 74 8.845 -1.425 -7.502 1.00 0.00 C ATOM 1121 NE ARG A 74 7.610 -1.954 -8.073 1.00 0.00 N ATOM 1122 CZ ARG A 74 7.376 -3.250 -8.246 1.00 0.00 C ATOM 1123 NH1 ARG A 74 8.290 -4.145 -7.893 1.00 0.00 N ATOM 1124 NH2 ARG A 74 6.228 -3.654 -8.773 1.00 0.00 N ATOM 0 H ARG A 74 9.947 0.049 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 74 10.143 -2.884 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.819 -0.688 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.987 -2.406 -6.095 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.549 -2.714 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.363 -1.008 -5.452 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.884 -0.347 -7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.699 -1.854 -8.026 1.00 0.00 H new ATOM 0 HE ARG A 74 6.887 -1.292 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.174 -3.838 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.108 -5.140 -8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.523 -2.969 -9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.050 -4.650 -8.905 1.00 0.00 H new ATOM 1138 N THR A 75 12.603 -3.131 -3.516 1.00 0.00 N ATOM 1139 CA THR A 75 14.009 -3.286 -3.168 1.00 0.00 C ATOM 1140 C THR A 75 14.911 -2.901 -4.335 1.00 0.00 C ATOM 1141 O THR A 75 14.444 -2.728 -5.461 1.00 0.00 O ATOM 1142 CB THR A 75 14.327 -4.733 -2.744 1.00 0.00 C ATOM 1143 OG1 THR A 75 13.926 -5.645 -3.774 1.00 0.00 O ATOM 1144 CG2 THR A 75 13.619 -5.085 -1.444 1.00 0.00 C ATOM 0 H THR A 75 12.094 -4.009 -3.616 1.00 0.00 H new ATOM 0 HA THR A 75 14.201 -2.618 -2.328 1.00 0.00 H new ATOM 0 HB THR A 75 15.403 -4.814 -2.586 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.510 -6.432 -3.760 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.859 -6.111 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.948 -4.408 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.542 -4.988 -1.579 1.00 0.00 H new ATOM 1152 N GLN A 76 16.205 -2.769 -4.059 1.00 0.00 N ATOM 1153 CA GLN A 76 17.170 -2.404 -5.088 1.00 0.00 C ATOM 1154 C GLN A 76 17.574 -3.622 -5.913 1.00 0.00 C ATOM 1155 O GLN A 76 17.920 -3.502 -7.088 1.00 0.00 O ATOM 1156 CB GLN A 76 18.410 -1.770 -4.452 1.00 0.00 C ATOM 1157 CG GLN A 76 19.086 -2.659 -3.421 1.00 0.00 C ATOM 1158 CD GLN A 76 19.724 -3.888 -4.039 1.00 0.00 C ATOM 1159 OE1 GLN A 76 20.082 -3.890 -5.217 1.00 0.00 O ATOM 1160 NE2 GLN A 76 19.872 -4.941 -3.244 1.00 0.00 N ATOM 0 H GLN A 76 16.608 -2.909 -3.133 1.00 0.00 H new ATOM 0 HA GLN A 76 16.699 -1.679 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.127 -1.527 -5.236 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.125 -0.830 -3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 76 19.848 -2.084 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 76 18.352 -2.970 -2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 76 19.561 -4.895 -2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.297 -5.796 -3.604 1.00 0.00 H new ATOM 1169 N GLY A 77 17.529 -4.795 -5.288 1.00 0.00 N ATOM 1170 CA GLY A 77 17.893 -6.018 -5.979 1.00 0.00 C ATOM 1171 C GLY A 77 16.967 -6.326 -7.139 1.00 0.00 C ATOM 1172 O GLY A 77 17.117 -5.770 -8.227 1.00 0.00 O ATOM 0 H GLY A 77 17.247 -4.920 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.916 -5.933 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.876 -6.849 -5.274 1.00 0.00 H new ATOM 1176 N SER A 78 16.007 -7.216 -6.908 1.00 0.00 N ATOM 1177 CA SER A 78 15.057 -7.602 -7.943 1.00 0.00 C ATOM 1178 C SER A 78 13.754 -6.818 -7.805 1.00 0.00 C ATOM 1179 O SER A 78 12.665 -7.364 -7.987 1.00 0.00 O ATOM 1180 CB SER A 78 14.771 -9.103 -7.870 1.00 0.00 C ATOM 1181 OG SER A 78 15.758 -9.844 -8.566 1.00 0.00 O ATOM 0 H SER A 78 15.867 -7.683 -6.012 1.00 0.00 H new ATOM 0 HA SER A 78 15.500 -7.370 -8.912 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.741 -9.420 -6.828 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.789 -9.310 -8.295 1.00 0.00 H new ATOM 0 HG SER A 78 15.554 -10.800 -8.503 1.00 0.00 H new ATOM 1187 N LEU A 79 13.875 -5.536 -7.480 1.00 0.00 N ATOM 1188 CA LEU A 79 12.709 -4.675 -7.317 1.00 0.00 C ATOM 1189 C LEU A 79 11.551 -5.441 -6.685 1.00 0.00 C ATOM 1190 O LEU A 79 10.384 -5.152 -6.951 1.00 0.00 O ATOM 1191 CB LEU A 79 12.280 -4.102 -8.668 1.00 0.00 C ATOM 1192 CG LEU A 79 12.925 -2.775 -9.070 1.00 0.00 C ATOM 1193 CD1 LEU A 79 14.416 -2.959 -9.314 1.00 0.00 C ATOM 1194 CD2 LEU A 79 12.247 -2.205 -10.307 1.00 0.00 C ATOM 0 H LEU A 79 14.769 -5.070 -7.324 1.00 0.00 H new ATOM 0 HA LEU A 79 12.983 -3.855 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.502 -4.839 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.198 -3.968 -8.656 1.00 0.00 H new ATOM 0 HG LEU A 79 12.796 -2.067 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 79 14.859 -2.005 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.892 -3.322 -8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.567 -3.683 -10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.719 -1.261 -10.578 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.344 -2.910 -11.133 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.191 -2.035 -10.097 1.00 0.00 H new ATOM 1206 N ARG A 80 11.881 -6.419 -5.848 1.00 0.00 N ATOM 1207 CA ARG A 80 10.869 -7.226 -5.179 1.00 0.00 C ATOM 1208 C ARG A 80 10.044 -6.376 -4.216 1.00 0.00 C ATOM 1209 O ARG A 80 10.562 -5.450 -3.589 1.00 0.00 O ATOM 1210 CB ARG A 80 11.526 -8.381 -4.421 1.00 0.00 C ATOM 1211 CG ARG A 80 11.866 -8.046 -2.978 1.00 0.00 C ATOM 1212 CD ARG A 80 12.247 -9.292 -2.191 1.00 0.00 C ATOM 1213 NE ARG A 80 13.684 -9.549 -2.237 1.00 0.00 N ATOM 1214 CZ ARG A 80 14.335 -10.246 -1.313 1.00 0.00 C ATOM 1215 NH1 ARG A 80 13.681 -10.753 -0.277 1.00 0.00 N ATOM 1216 NH2 ARG A 80 15.644 -10.437 -1.424 1.00 0.00 N ATOM 0 H ARG A 80 12.842 -6.671 -5.617 1.00 0.00 H new ATOM 0 HA ARG A 80 10.203 -7.632 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 80 10.858 -9.242 -4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 80 12.438 -8.674 -4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 80 12.690 -7.333 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 80 11.012 -7.562 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.932 -9.176 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 80 11.712 -10.152 -2.592 1.00 0.00 H new ATOM 0 HE ARG A 80 14.216 -9.173 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.675 -10.608 -0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.184 -11.288 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 80 16.150 -10.048 -2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 80 16.143 -10.972 -0.714 1.00 0.00 H new ATOM 1230 N LEU A 81 8.759 -6.695 -4.106 1.00 0.00 N ATOM 1231 CA LEU A 81 7.862 -5.960 -3.221 1.00 0.00 C ATOM 1232 C LEU A 81 7.787 -6.623 -1.849 1.00 0.00 C ATOM 1233 O LEU A 81 7.561 -7.829 -1.745 1.00 0.00 O ATOM 1234 CB LEU A 81 6.464 -5.874 -3.836 1.00 0.00 C ATOM 1235 CG LEU A 81 5.642 -4.639 -3.466 1.00 0.00 C ATOM 1236 CD1 LEU A 81 5.677 -4.406 -1.963 1.00 0.00 C ATOM 1237 CD2 LEU A 81 6.155 -3.415 -4.209 1.00 0.00 C ATOM 0 H LEU A 81 8.315 -7.457 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 81 8.260 -4.953 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.564 -5.908 -4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.904 -6.761 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 81 4.608 -4.812 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.087 -3.523 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.262 -5.274 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.708 -4.254 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.558 -2.545 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.197 -3.239 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.078 -3.583 -5.283 1.00 0.00 H new ATOM 1249 N ILE A 82 7.974 -5.828 -0.802 1.00 0.00 N ATOM 1250 CA ILE A 82 7.924 -6.337 0.563 1.00 0.00 C ATOM 1251 C ILE A 82 6.923 -5.553 1.405 1.00 0.00 C ATOM 1252 O ILE A 82 6.447 -6.037 2.433 1.00 0.00 O ATOM 1253 CB ILE A 82 9.306 -6.276 1.237 1.00 0.00 C ATOM 1254 CG1 ILE A 82 9.678 -4.826 1.558 1.00 0.00 C ATOM 1255 CG2 ILE A 82 10.360 -6.914 0.345 1.00 0.00 C ATOM 1256 CD1 ILE A 82 10.105 -4.030 0.345 1.00 0.00 C ATOM 0 H ILE A 82 8.162 -4.828 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 82 7.606 -7.378 0.501 1.00 0.00 H new ATOM 0 HB ILE A 82 9.263 -6.836 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.823 -4.334 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.486 -4.820 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.332 -6.863 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.100 -7.957 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.405 -6.380 -0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.354 -3.013 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.979 -4.498 -0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.290 -4.005 -0.379 1.00 0.00 H new ATOM 1268 N LEU A 83 6.607 -4.341 0.963 1.00 0.00 N ATOM 1269 CA LEU A 83 5.661 -3.489 1.676 1.00 0.00 C ATOM 1270 C LEU A 83 4.562 -2.995 0.741 1.00 0.00 C ATOM 1271 O LEU A 83 4.831 -2.292 -0.232 1.00 0.00 O ATOM 1272 CB LEU A 83 6.388 -2.298 2.301 1.00 0.00 C ATOM 1273 CG LEU A 83 5.568 -1.017 2.458 1.00 0.00 C ATOM 1274 CD1 LEU A 83 4.360 -1.263 3.350 1.00 0.00 C ATOM 1275 CD2 LEU A 83 6.429 0.104 3.021 1.00 0.00 C ATOM 0 H LEU A 83 6.992 -3.926 0.114 1.00 0.00 H new ATOM 0 HA LEU A 83 5.201 -4.081 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.752 -2.595 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.264 -2.073 1.692 1.00 0.00 H new ATOM 0 HG LEU A 83 5.212 -0.714 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.788 -0.341 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.730 -2.034 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.695 -1.591 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.828 1.007 3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.816 -0.189 3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.261 0.298 2.344 1.00 0.00 H new ATOM 1287 N ASN A 84 3.323 -3.367 1.044 1.00 0.00 N ATOM 1288 CA ASN A 84 2.182 -2.961 0.232 1.00 0.00 C ATOM 1289 C ASN A 84 0.925 -2.827 1.086 1.00 0.00 C ATOM 1290 O ASN A 84 0.323 -3.824 1.486 1.00 0.00 O ATOM 1291 CB ASN A 84 1.943 -3.972 -0.892 1.00 0.00 C ATOM 1292 CG ASN A 84 1.371 -3.325 -2.139 1.00 0.00 C ATOM 1293 OD1 ASN A 84 0.185 -3.004 -2.196 1.00 0.00 O ATOM 1294 ND2 ASN A 84 2.216 -3.134 -3.146 1.00 0.00 N ATOM 0 H ASN A 84 3.083 -3.949 1.846 1.00 0.00 H new ATOM 0 HA ASN A 84 2.408 -1.988 -0.205 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.883 -4.465 -1.140 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.260 -4.746 -0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.889 -2.705 -4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.192 -3.416 -3.054 1.00 0.00 H new ATOM 1301 N THR A 85 0.534 -1.587 1.364 1.00 0.00 N ATOM 1302 CA THR A 85 -0.650 -1.322 2.171 1.00 0.00 C ATOM 1303 C THR A 85 -1.399 -0.094 1.663 1.00 0.00 C ATOM 1304 O THR A 85 -0.793 0.845 1.147 1.00 0.00 O ATOM 1305 CB THR A 85 -0.285 -1.110 3.652 1.00 0.00 C ATOM 1306 OG1 THR A 85 -1.468 -1.133 4.457 1.00 0.00 O ATOM 1307 CG2 THR A 85 0.441 0.213 3.847 1.00 0.00 C ATOM 0 H THR A 85 1.021 -0.750 1.042 1.00 0.00 H new ATOM 0 HA THR A 85 -1.293 -2.198 2.085 1.00 0.00 H new ATOM 0 HB THR A 85 0.378 -1.919 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.288 -0.695 5.315 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.688 0.340 4.901 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.357 0.216 3.256 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.202 1.032 3.524 1.00 0.00 H new ATOM 1315 N LYS A 86 -2.719 -0.108 1.813 1.00 0.00 N ATOM 1316 CA LYS A 86 -3.551 1.005 1.372 1.00 0.00 C ATOM 1317 C LYS A 86 -3.795 1.987 2.513 1.00 0.00 C ATOM 1318 O LYS A 86 -4.381 1.632 3.537 1.00 0.00 O ATOM 1319 CB LYS A 86 -4.887 0.488 0.835 1.00 0.00 C ATOM 1320 CG LYS A 86 -5.857 1.592 0.451 1.00 0.00 C ATOM 1321 CD LYS A 86 -7.301 1.137 0.580 1.00 0.00 C ATOM 1322 CE LYS A 86 -7.846 1.400 1.976 1.00 0.00 C ATOM 1323 NZ LYS A 86 -9.129 0.684 2.214 1.00 0.00 N ATOM 0 H LYS A 86 -3.236 -0.878 2.237 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.023 1.527 0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.700 -0.139 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.352 -0.146 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.690 2.461 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.664 1.906 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.915 1.658 -0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.370 0.072 0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.112 1.086 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.997 2.471 2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.468 0.889 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.838 1.002 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.980 -0.340 2.110 1.00 0.00 H new ATOM 1337 N LEU A 87 -3.346 3.224 2.330 1.00 0.00 N ATOM 1338 CA LEU A 87 -3.517 4.259 3.344 1.00 0.00 C ATOM 1339 C LEU A 87 -4.988 4.420 3.712 1.00 0.00 C ATOM 1340 O LEU A 87 -5.875 4.142 2.906 1.00 0.00 O ATOM 1341 CB LEU A 87 -2.957 5.590 2.842 1.00 0.00 C ATOM 1342 CG LEU A 87 -1.530 5.552 2.292 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -1.357 6.581 1.185 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -0.522 5.791 3.407 1.00 0.00 C ATOM 0 H LEU A 87 -2.861 3.535 1.488 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.968 3.955 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.617 5.967 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.990 6.308 3.662 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.349 4.563 1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.336 6.539 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.054 6.365 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.557 7.577 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.488 5.760 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.702 6.767 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.629 5.016 4.166 1.00 0.00 H new ATOM 1356 N TRP A 88 -5.239 4.874 4.936 1.00 0.00 N ATOM 1357 CA TRP A 88 -6.604 5.075 5.411 1.00 0.00 C ATOM 1358 C TRP A 88 -6.725 6.389 6.176 1.00 0.00 C ATOM 1359 O TRP A 88 -5.742 6.897 6.714 1.00 0.00 O ATOM 1360 CB TRP A 88 -7.032 3.910 6.303 1.00 0.00 C ATOM 1361 CG TRP A 88 -6.157 3.729 7.507 1.00 0.00 C ATOM 1362 CD1 TRP A 88 -6.354 4.262 8.749 1.00 0.00 C ATOM 1363 CD2 TRP A 88 -4.948 2.968 7.581 1.00 0.00 C ATOM 1364 NE1 TRP A 88 -5.338 3.876 9.591 1.00 0.00 N ATOM 1365 CE2 TRP A 88 -4.464 3.081 8.899 1.00 0.00 C ATOM 1366 CE3 TRP A 88 -4.227 2.199 6.663 1.00 0.00 C ATOM 1367 CZ2 TRP A 88 -3.293 2.454 9.318 1.00 0.00 C ATOM 1368 CZ3 TRP A 88 -3.065 1.578 7.081 1.00 0.00 C ATOM 1369 CH2 TRP A 88 -2.607 1.708 8.399 1.00 0.00 C ATOM 0 H TRP A 88 -4.516 5.109 5.616 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.262 5.119 4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -8.059 4.071 6.630 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.025 2.991 5.716 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -7.185 4.893 9.028 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.250 4.139 10.572 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.572 2.092 5.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -2.939 2.553 10.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.500 0.982 6.379 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.695 1.210 8.695 1.00 0.00 H new ATOM 1380 N ALA A 89 -7.937 6.933 6.220 1.00 0.00 N ATOM 1381 CA ALA A 89 -8.186 8.186 6.921 1.00 0.00 C ATOM 1382 C ALA A 89 -7.568 8.168 8.315 1.00 0.00 C ATOM 1383 O ALA A 89 -6.904 9.121 8.722 1.00 0.00 O ATOM 1384 CB ALA A 89 -9.681 8.453 7.008 1.00 0.00 C ATOM 0 H ALA A 89 -8.761 6.525 5.778 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.716 8.990 6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.853 9.392 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.098 8.518 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.165 7.640 7.549 1.00 0.00 H new ATOM 1390 N GLN A 90 -7.790 7.078 9.042 1.00 0.00 N ATOM 1391 CA GLN A 90 -7.256 6.936 10.390 1.00 0.00 C ATOM 1392 C GLN A 90 -5.814 6.440 10.355 1.00 0.00 C ATOM 1393 O GLN A 90 -5.360 5.759 11.275 1.00 0.00 O ATOM 1394 CB GLN A 90 -8.120 5.973 11.207 1.00 0.00 C ATOM 1395 CG GLN A 90 -9.609 6.263 11.111 1.00 0.00 C ATOM 1396 CD GLN A 90 -9.995 7.567 11.779 1.00 0.00 C ATOM 1397 OE1 GLN A 90 -9.968 7.682 13.005 1.00 0.00 O ATOM 1398 NE2 GLN A 90 -10.357 8.560 10.975 1.00 0.00 N ATOM 0 H GLN A 90 -8.337 6.280 8.719 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.272 7.917 10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.934 4.954 10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.815 6.022 12.252 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.901 6.297 10.062 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.165 5.446 11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -10.365 8.421 9.965 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.627 9.462 11.368 1.00 0.00 H new ATOM 1407 N MET A 91 -5.100 6.786 9.290 1.00 0.00 N ATOM 1408 CA MET A 91 -3.709 6.374 9.136 1.00 0.00 C ATOM 1409 C MET A 91 -2.813 7.108 10.129 1.00 0.00 C ATOM 1410 O MET A 91 -3.003 8.296 10.389 1.00 0.00 O ATOM 1411 CB MET A 91 -3.231 6.641 7.707 1.00 0.00 C ATOM 1412 CG MET A 91 -1.729 6.836 7.595 1.00 0.00 C ATOM 1413 SD MET A 91 -0.799 5.367 8.078 1.00 0.00 S ATOM 1414 CE MET A 91 -0.314 4.732 6.476 1.00 0.00 C ATOM 0 H MET A 91 -5.461 7.350 8.521 1.00 0.00 H new ATOM 0 HA MET A 91 -3.648 5.305 9.338 1.00 0.00 H new ATOM 0 HB2 MET A 91 -3.529 5.807 7.071 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.734 7.529 7.325 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.476 7.100 6.568 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.428 7.675 8.223 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.226 3.647 6.526 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.067 5.001 5.735 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.646 5.161 6.190 1.00 0.00 H new ATOM 1424 N GLN A 92 -1.838 6.392 10.679 1.00 0.00 N ATOM 1425 CA GLN A 92 -0.914 6.976 11.645 1.00 0.00 C ATOM 1426 C GLN A 92 0.412 7.333 10.982 1.00 0.00 C ATOM 1427 O GLN A 92 1.109 6.463 10.459 1.00 0.00 O ATOM 1428 CB GLN A 92 -0.674 6.007 12.803 1.00 0.00 C ATOM 1429 CG GLN A 92 -1.869 5.860 13.732 1.00 0.00 C ATOM 1430 CD GLN A 92 -1.507 5.202 15.048 1.00 0.00 C ATOM 1431 OE1 GLN A 92 -0.448 4.588 15.179 1.00 0.00 O ATOM 1432 NE2 GLN A 92 -2.388 5.327 16.035 1.00 0.00 N ATOM 0 H GLN A 92 -1.667 5.408 10.473 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.363 7.890 12.033 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.416 5.028 12.399 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.185 6.350 13.381 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.296 6.844 13.927 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.640 5.271 13.236 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.254 5.845 15.883 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.198 4.905 16.944 1.00 0.00 H new ATOM 1441 N ILE A 93 0.754 8.616 11.007 1.00 0.00 N ATOM 1442 CA ILE A 93 1.997 9.087 10.408 1.00 0.00 C ATOM 1443 C ILE A 93 2.478 10.370 11.079 1.00 0.00 C ATOM 1444 O ILE A 93 1.789 11.391 11.055 1.00 0.00 O ATOM 1445 CB ILE A 93 1.834 9.340 8.898 1.00 0.00 C ATOM 1446 CG1 ILE A 93 2.960 10.241 8.386 1.00 0.00 C ATOM 1447 CG2 ILE A 93 0.477 9.963 8.608 1.00 0.00 C ATOM 1448 CD1 ILE A 93 2.854 10.560 6.911 1.00 0.00 C ATOM 0 H ILE A 93 0.188 9.348 11.436 1.00 0.00 H new ATOM 0 HA ILE A 93 2.738 8.301 10.558 1.00 0.00 H new ATOM 0 HB ILE A 93 1.892 8.385 8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.955 11.172 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.918 9.757 8.577 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.377 10.136 7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.312 9.289 8.942 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.392 10.912 9.138 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.684 11.202 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.889 9.635 6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.912 11.073 6.716 1.00 0.00 H new ATOM 1460 N ASP A 94 3.664 10.311 11.673 1.00 0.00 N ATOM 1461 CA ASP A 94 4.240 11.469 12.347 1.00 0.00 C ATOM 1462 C ASP A 94 5.677 11.704 11.893 1.00 0.00 C ATOM 1463 O ASP A 94 6.403 10.760 11.581 1.00 0.00 O ATOM 1464 CB ASP A 94 4.196 11.276 13.864 1.00 0.00 C ATOM 1465 CG ASP A 94 4.137 12.594 14.613 1.00 0.00 C ATOM 1466 OD1 ASP A 94 3.040 13.186 14.688 1.00 0.00 O ATOM 1467 OD2 ASP A 94 5.189 13.032 15.126 1.00 0.00 O ATOM 0 H ASP A 94 4.246 9.474 11.702 1.00 0.00 H new ATOM 0 HA ASP A 94 3.647 12.345 12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.326 10.673 14.126 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.077 10.719 14.182 1.00 0.00 H new ATOM 1472 N LYS A 95 6.082 12.969 11.857 1.00 0.00 N ATOM 1473 CA LYS A 95 7.432 13.330 11.441 1.00 0.00 C ATOM 1474 C LYS A 95 8.395 13.287 12.623 1.00 0.00 C ATOM 1475 O LYS A 95 8.478 14.234 13.404 1.00 0.00 O ATOM 1476 CB LYS A 95 7.439 14.726 10.814 1.00 0.00 C ATOM 1477 CG LYS A 95 8.790 15.133 10.252 1.00 0.00 C ATOM 1478 CD LYS A 95 9.076 14.440 8.931 1.00 0.00 C ATOM 1479 CE LYS A 95 10.009 15.267 8.058 1.00 0.00 C ATOM 1480 NZ LYS A 95 9.322 16.455 7.483 1.00 0.00 N ATOM 0 H LYS A 95 5.494 13.762 12.111 1.00 0.00 H new ATOM 0 HA LYS A 95 7.763 12.604 10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.697 14.760 10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.133 15.454 11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.815 16.213 10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.573 14.887 10.970 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.523 13.464 9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.140 14.265 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.865 15.593 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.397 14.646 7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.714 16.661 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.304 16.260 7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.467 17.275 8.106 1.00 0.00 H new ATOM 1494 N ALA A 96 9.123 12.181 12.747 1.00 0.00 N ATOM 1495 CA ALA A 96 10.083 12.017 13.832 1.00 0.00 C ATOM 1496 C ALA A 96 11.281 12.941 13.649 1.00 0.00 C ATOM 1497 O ALA A 96 11.788 13.514 14.613 1.00 0.00 O ATOM 1498 CB ALA A 96 10.540 10.567 13.917 1.00 0.00 C ATOM 0 H ALA A 96 9.066 11.386 12.110 1.00 0.00 H new ATOM 0 HA ALA A 96 9.589 12.287 14.765 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.257 10.458 14.731 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.679 9.925 14.103 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.012 10.279 12.978 1.00 0.00 H new ATOM 1504 N SER A 97 11.730 13.081 12.407 1.00 0.00 N ATOM 1505 CA SER A 97 12.873 13.933 12.098 1.00 0.00 C ATOM 1506 C SER A 97 12.813 14.421 10.654 1.00 0.00 C ATOM 1507 O SER A 97 11.936 14.020 9.888 1.00 0.00 O ATOM 1508 CB SER A 97 14.181 13.176 12.339 1.00 0.00 C ATOM 1509 OG SER A 97 14.312 12.806 13.701 1.00 0.00 O ATOM 0 H SER A 97 11.320 12.616 11.597 1.00 0.00 H new ATOM 0 HA SER A 97 12.837 14.800 12.758 1.00 0.00 H new ATOM 0 HB2 SER A 97 14.210 12.285 11.712 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.025 13.800 12.045 1.00 0.00 H new ATOM 0 HG SER A 97 15.155 12.322 13.829 1.00 0.00 H new ATOM 1515 N GLU A 98 13.753 15.288 10.289 1.00 0.00 N ATOM 1516 CA GLU A 98 13.806 15.832 8.937 1.00 0.00 C ATOM 1517 C GLU A 98 14.429 14.827 7.971 1.00 0.00 C ATOM 1518 O GLU A 98 14.604 15.113 6.786 1.00 0.00 O ATOM 1519 CB GLU A 98 14.605 17.136 8.919 1.00 0.00 C ATOM 1520 CG GLU A 98 16.095 16.933 8.700 1.00 0.00 C ATOM 1521 CD GLU A 98 16.887 18.218 8.851 1.00 0.00 C ATOM 1522 OE1 GLU A 98 16.786 19.087 7.961 1.00 0.00 O ATOM 1523 OE2 GLU A 98 17.607 18.354 9.863 1.00 0.00 O ATOM 0 H GLU A 98 14.487 15.628 10.910 1.00 0.00 H new ATOM 0 HA GLU A 98 12.785 16.036 8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.215 17.781 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.453 17.659 9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.466 16.196 9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 98 16.260 16.524 7.703 1.00 0.00 H new ATOM 1530 N LYS A 99 14.762 13.648 8.487 1.00 0.00 N ATOM 1531 CA LYS A 99 15.365 12.600 7.672 1.00 0.00 C ATOM 1532 C LYS A 99 14.636 11.274 7.867 1.00 0.00 C ATOM 1533 O LYS A 99 14.556 10.458 6.949 1.00 0.00 O ATOM 1534 CB LYS A 99 16.844 12.438 8.027 1.00 0.00 C ATOM 1535 CG LYS A 99 17.748 13.446 7.339 1.00 0.00 C ATOM 1536 CD LYS A 99 19.087 13.567 8.047 1.00 0.00 C ATOM 1537 CE LYS A 99 19.020 14.555 9.202 1.00 0.00 C ATOM 1538 NZ LYS A 99 18.980 15.965 8.726 1.00 0.00 N ATOM 0 H LYS A 99 14.624 13.395 9.465 1.00 0.00 H new ATOM 0 HA LYS A 99 15.279 12.892 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.963 12.533 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.165 11.432 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.908 13.145 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.258 14.419 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.392 12.589 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.848 13.888 7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.135 14.350 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.885 14.415 9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.650 16.582 9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.933 16.259 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.329 16.040 7.918 1.00 0.00 H new ATOM 1552 N SER A 100 14.105 11.066 9.067 1.00 0.00 N ATOM 1553 CA SER A 100 13.384 9.838 9.383 1.00 0.00 C ATOM 1554 C SER A 100 11.905 10.122 9.626 1.00 0.00 C ATOM 1555 O SER A 100 11.537 11.207 10.076 1.00 0.00 O ATOM 1556 CB SER A 100 13.996 9.165 10.613 1.00 0.00 C ATOM 1557 OG SER A 100 13.697 9.892 11.793 1.00 0.00 O ATOM 0 H SER A 100 14.160 11.732 9.837 1.00 0.00 H new ATOM 0 HA SER A 100 13.470 9.166 8.529 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.615 8.148 10.702 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.077 9.091 10.491 1.00 0.00 H new ATOM 0 HG SER A 100 14.098 9.441 12.565 1.00 0.00 H new ATOM 1563 N ILE A 101 11.064 9.140 9.325 1.00 0.00 N ATOM 1564 CA ILE A 101 9.625 9.283 9.512 1.00 0.00 C ATOM 1565 C ILE A 101 9.013 8.006 10.077 1.00 0.00 C ATOM 1566 O ILE A 101 9.504 6.905 9.823 1.00 0.00 O ATOM 1567 CB ILE A 101 8.918 9.635 8.189 1.00 0.00 C ATOM 1568 CG1 ILE A 101 9.739 10.662 7.404 1.00 0.00 C ATOM 1569 CG2 ILE A 101 7.518 10.165 8.462 1.00 0.00 C ATOM 1570 CD1 ILE A 101 9.284 10.831 5.972 1.00 0.00 C ATOM 0 H ILE A 101 11.353 8.236 8.951 1.00 0.00 H new ATOM 0 HA ILE A 101 9.479 10.097 10.222 1.00 0.00 H new ATOM 0 HB ILE A 101 8.832 8.730 7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.682 11.625 7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.786 10.360 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.031 10.409 7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.937 9.405 8.984 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.582 11.061 9.080 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.910 11.573 5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.368 9.878 5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.246 11.163 5.957 1.00 0.00 H new ATOM 1582 N HIS A 102 7.938 8.160 10.843 1.00 0.00 N ATOM 1583 CA HIS A 102 7.258 7.018 11.444 1.00 0.00 C ATOM 1584 C HIS A 102 5.863 6.843 10.850 1.00 0.00 C ATOM 1585 O HIS A 102 4.943 7.596 11.170 1.00 0.00 O ATOM 1586 CB HIS A 102 7.160 7.194 12.959 1.00 0.00 C ATOM 1587 CG HIS A 102 8.427 6.858 13.684 1.00 0.00 C ATOM 1588 ND1 HIS A 102 8.448 6.251 14.923 1.00 0.00 N ATOM 1589 CD2 HIS A 102 9.723 7.046 13.338 1.00 0.00 C ATOM 1590 CE1 HIS A 102 9.700 6.083 15.307 1.00 0.00 C ATOM 1591 NE2 HIS A 102 10.493 6.556 14.362 1.00 0.00 N ATOM 0 H HIS A 102 7.519 9.064 11.062 1.00 0.00 H new ATOM 0 HA HIS A 102 7.842 6.124 11.227 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.887 8.226 13.180 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.356 6.564 13.339 1.00 0.00 H new ATOM 0 HD2 HIS A 102 10.083 7.498 12.426 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.021 5.635 16.236 1.00 0.00 H new ATOM 0 HE2 HIS A 102 11.513 6.557 14.389 1.00 0.00 H new ATOM 1599 N ILE A 103 5.716 5.847 9.983 1.00 0.00 N ATOM 1600 CA ILE A 103 4.435 5.574 9.345 1.00 0.00 C ATOM 1601 C ILE A 103 3.984 4.141 9.608 1.00 0.00 C ATOM 1602 O ILE A 103 4.795 3.215 9.620 1.00 0.00 O ATOM 1603 CB ILE A 103 4.502 5.807 7.824 1.00 0.00 C ATOM 1604 CG1 ILE A 103 5.110 4.589 7.126 1.00 0.00 C ATOM 1605 CG2 ILE A 103 5.309 7.060 7.516 1.00 0.00 C ATOM 1606 CD1 ILE A 103 4.085 3.558 6.707 1.00 0.00 C ATOM 0 H ILE A 103 6.468 5.216 9.707 1.00 0.00 H new ATOM 0 HA ILE A 103 3.713 6.266 9.779 1.00 0.00 H new ATOM 0 HB ILE A 103 3.489 5.949 7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.660 4.922 6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.832 4.120 7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.348 7.212 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.837 7.922 7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.322 6.945 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.587 2.723 6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.552 3.197 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.376 4.011 6.013 1.00 0.00 H new ATOM 1618 N THR A 104 2.682 3.965 9.818 1.00 0.00 N ATOM 1619 CA THR A 104 2.122 2.646 10.081 1.00 0.00 C ATOM 1620 C THR A 104 1.573 2.018 8.805 1.00 0.00 C ATOM 1621 O THR A 104 0.792 2.637 8.084 1.00 0.00 O ATOM 1622 CB THR A 104 0.998 2.712 11.132 1.00 0.00 C ATOM 1623 OG1 THR A 104 -0.021 3.621 10.703 1.00 0.00 O ATOM 1624 CG2 THR A 104 1.545 3.154 12.481 1.00 0.00 C ATOM 0 H THR A 104 1.997 4.720 9.811 1.00 0.00 H new ATOM 0 HA THR A 104 2.934 2.029 10.467 1.00 0.00 H new ATOM 0 HB THR A 104 0.572 1.715 11.240 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.139 3.875 9.770 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.733 3.193 13.208 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.300 2.443 12.818 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.994 4.142 12.385 1.00 0.00 H new ATOM 1632 N ALA A 105 1.986 0.784 8.533 1.00 0.00 N ATOM 1633 CA ALA A 105 1.533 0.071 7.345 1.00 0.00 C ATOM 1634 C ALA A 105 1.329 -1.411 7.638 1.00 0.00 C ATOM 1635 O ALA A 105 1.700 -1.898 8.706 1.00 0.00 O ATOM 1636 CB ALA A 105 2.526 0.255 6.208 1.00 0.00 C ATOM 0 H ALA A 105 2.634 0.258 9.119 1.00 0.00 H new ATOM 0 HA ALA A 105 0.573 0.490 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.175 -0.283 5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.618 1.315 5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.499 -0.135 6.508 1.00 0.00 H new ATOM 1642 N MET A 106 0.739 -2.123 6.684 1.00 0.00 N ATOM 1643 CA MET A 106 0.488 -3.551 6.841 1.00 0.00 C ATOM 1644 C MET A 106 1.322 -4.362 5.855 1.00 0.00 C ATOM 1645 O MET A 106 1.429 -4.009 4.680 1.00 0.00 O ATOM 1646 CB MET A 106 -0.998 -3.854 6.640 1.00 0.00 C ATOM 1647 CG MET A 106 -1.834 -3.658 7.894 1.00 0.00 C ATOM 1648 SD MET A 106 -3.573 -4.061 7.639 1.00 0.00 S ATOM 1649 CE MET A 106 -4.238 -2.449 7.231 1.00 0.00 C ATOM 0 H MET A 106 0.426 -1.735 5.794 1.00 0.00 H new ATOM 0 HA MET A 106 0.776 -3.836 7.853 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.387 -3.212 5.850 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.107 -4.883 6.298 1.00 0.00 H new ATOM 0 HG2 MET A 106 -1.434 -4.281 8.694 1.00 0.00 H new ATOM 0 HG3 MET A 106 -1.750 -2.623 8.224 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.309 -2.534 7.045 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.067 -1.764 8.061 1.00 0.00 H new ATOM 0 HE3 MET A 106 -3.744 -2.067 6.338 1.00 0.00 H new ATOM 1659 N ASP A 107 1.913 -5.448 6.341 1.00 0.00 N ATOM 1660 CA ASP A 107 2.738 -6.310 5.501 1.00 0.00 C ATOM 1661 C ASP A 107 1.885 -7.040 4.469 1.00 0.00 C ATOM 1662 O ASP A 107 0.656 -6.969 4.499 1.00 0.00 O ATOM 1663 CB ASP A 107 3.498 -7.320 6.361 1.00 0.00 C ATOM 1664 CG ASP A 107 4.701 -7.902 5.646 1.00 0.00 C ATOM 1665 OD1 ASP A 107 5.492 -7.116 5.084 1.00 0.00 O ATOM 1666 OD2 ASP A 107 4.851 -9.141 5.647 1.00 0.00 O ATOM 0 H ASP A 107 1.837 -5.753 7.311 1.00 0.00 H new ATOM 0 HA ASP A 107 3.456 -5.682 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.825 -6.835 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.824 -8.127 6.648 1.00 0.00 H new ATOM 1671 N THR A 108 2.546 -7.744 3.554 1.00 0.00 N ATOM 1672 CA THR A 108 1.848 -8.486 2.510 1.00 0.00 C ATOM 1673 C THR A 108 1.524 -9.903 2.968 1.00 0.00 C ATOM 1674 O THR A 108 0.476 -10.450 2.624 1.00 0.00 O ATOM 1675 CB THR A 108 2.683 -8.554 1.217 1.00 0.00 C ATOM 1676 OG1 THR A 108 4.004 -9.023 1.510 1.00 0.00 O ATOM 1677 CG2 THR A 108 2.760 -7.189 0.550 1.00 0.00 C ATOM 0 H THR A 108 3.563 -7.816 3.515 1.00 0.00 H new ATOM 0 HA THR A 108 0.920 -7.952 2.307 1.00 0.00 H new ATOM 0 HB THR A 108 2.196 -9.248 0.532 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.527 -9.065 0.682 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.354 -7.262 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.755 -6.849 0.301 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.226 -6.477 1.231 1.00 0.00 H new ATOM 1685 N GLU A 109 2.428 -10.491 3.745 1.00 0.00 N ATOM 1686 CA GLU A 109 2.236 -11.846 4.248 1.00 0.00 C ATOM 1687 C GLU A 109 1.653 -11.824 5.658 1.00 0.00 C ATOM 1688 O GLU A 109 0.611 -12.426 5.920 1.00 0.00 O ATOM 1689 CB GLU A 109 3.563 -12.609 4.245 1.00 0.00 C ATOM 1690 CG GLU A 109 4.245 -12.636 2.888 1.00 0.00 C ATOM 1691 CD GLU A 109 5.188 -13.814 2.733 1.00 0.00 C ATOM 1692 OE1 GLU A 109 4.698 -14.954 2.596 1.00 0.00 O ATOM 1693 OE2 GLU A 109 6.417 -13.595 2.749 1.00 0.00 O ATOM 0 H GLU A 109 3.300 -10.051 4.040 1.00 0.00 H new ATOM 0 HA GLU A 109 1.532 -12.354 3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.236 -12.154 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.385 -13.633 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.487 -12.676 2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.801 -11.709 2.746 1.00 0.00 H new ATOM 1700 N ASP A 110 2.333 -11.129 6.563 1.00 0.00 N ATOM 1701 CA ASP A 110 1.883 -11.027 7.947 1.00 0.00 C ATOM 1702 C ASP A 110 0.563 -10.268 8.034 1.00 0.00 C ATOM 1703 O ASP A 110 -0.198 -10.436 8.988 1.00 0.00 O ATOM 1704 CB ASP A 110 2.944 -10.332 8.800 1.00 0.00 C ATOM 1705 CG ASP A 110 4.188 -11.179 8.982 1.00 0.00 C ATOM 1706 OD1 ASP A 110 4.059 -12.421 9.017 1.00 0.00 O ATOM 1707 OD2 ASP A 110 5.290 -10.601 9.091 1.00 0.00 O ATOM 0 H ASP A 110 3.198 -10.627 6.363 1.00 0.00 H new ATOM 0 HA ASP A 110 1.726 -12.036 8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.218 -9.385 8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.523 -10.096 9.777 1.00 0.00 H new ATOM 1712 N GLN A 111 0.299 -9.432 7.035 1.00 0.00 N ATOM 1713 CA GLN A 111 -0.929 -8.645 7.002 1.00 0.00 C ATOM 1714 C GLN A 111 -1.195 -7.994 8.355 1.00 0.00 C ATOM 1715 O GLN A 111 -2.343 -7.859 8.775 1.00 0.00 O ATOM 1716 CB GLN A 111 -2.113 -9.528 6.606 1.00 0.00 C ATOM 1717 CG GLN A 111 -1.984 -10.135 5.218 1.00 0.00 C ATOM 1718 CD GLN A 111 -3.327 -10.383 4.561 1.00 0.00 C ATOM 1719 OE1 GLN A 111 -3.822 -11.509 4.540 1.00 0.00 O ATOM 1720 NE2 GLN A 111 -3.925 -9.327 4.020 1.00 0.00 N ATOM 0 H GLN A 111 0.918 -9.282 6.238 1.00 0.00 H new ATOM 0 HA GLN A 111 -0.807 -7.857 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.217 -10.331 7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -3.027 -8.936 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -1.393 -9.469 4.588 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.438 -11.076 5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -3.478 -8.411 4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.831 -9.432 3.564 1.00 0.00 H new ATOM 1729 N GLY A 112 -0.124 -7.592 9.034 1.00 0.00 N ATOM 1730 CA GLY A 112 -0.263 -6.959 10.332 1.00 0.00 C ATOM 1731 C GLY A 112 0.228 -5.525 10.334 1.00 0.00 C ATOM 1732 O GLY A 112 1.190 -5.190 9.643 1.00 0.00 O ATOM 0 H GLY A 112 0.837 -7.694 8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.310 -6.981 10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.294 -7.532 11.073 1.00 0.00 H new ATOM 1736 N VAL A 113 -0.435 -4.675 11.111 1.00 0.00 N ATOM 1737 CA VAL A 113 -0.060 -3.269 11.201 1.00 0.00 C ATOM 1738 C VAL A 113 1.129 -3.074 12.134 1.00 0.00 C ATOM 1739 O VAL A 113 1.052 -3.371 13.327 1.00 0.00 O ATOM 1740 CB VAL A 113 -1.236 -2.405 11.698 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -0.866 -0.931 11.665 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -2.481 -2.670 10.865 1.00 0.00 C ATOM 0 H VAL A 113 -1.235 -4.936 11.688 1.00 0.00 H new ATOM 0 HA VAL A 113 0.216 -2.951 10.196 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.454 -2.677 12.731 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.708 -0.336 12.019 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.003 -0.758 12.309 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.621 -0.640 10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.301 -2.052 11.230 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.279 -2.427 9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.756 -3.722 10.946 1.00 0.00 H new ATOM 1752 N LYS A 114 2.230 -2.574 11.583 1.00 0.00 N ATOM 1753 CA LYS A 114 3.438 -2.337 12.366 1.00 0.00 C ATOM 1754 C LYS A 114 3.996 -0.944 12.096 1.00 0.00 C ATOM 1755 O LYS A 114 3.645 -0.304 11.105 1.00 0.00 O ATOM 1756 CB LYS A 114 4.496 -3.394 12.039 1.00 0.00 C ATOM 1757 CG LYS A 114 4.470 -3.855 10.593 1.00 0.00 C ATOM 1758 CD LYS A 114 5.366 -5.063 10.377 1.00 0.00 C ATOM 1759 CE LYS A 114 4.852 -5.944 9.249 1.00 0.00 C ATOM 1760 NZ LYS A 114 5.955 -6.684 8.575 1.00 0.00 N ATOM 0 H LYS A 114 2.311 -2.325 10.597 1.00 0.00 H new ATOM 0 HA LYS A 114 3.177 -2.406 13.422 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.483 -2.990 12.265 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.348 -4.256 12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.448 -4.103 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.793 -3.041 9.945 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.378 -4.730 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.423 -5.644 11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.127 -6.655 9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.328 -5.329 8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 5.594 -7.588 8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.325 -6.114 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.718 -6.867 9.258 1.00 0.00 H new ATOM 1774 N VAL A 115 4.869 -0.479 12.985 1.00 0.00 N ATOM 1775 CA VAL A 115 5.478 0.838 12.842 1.00 0.00 C ATOM 1776 C VAL A 115 6.663 0.793 11.884 1.00 0.00 C ATOM 1777 O VAL A 115 7.720 0.253 12.211 1.00 0.00 O ATOM 1778 CB VAL A 115 5.950 1.388 14.200 1.00 0.00 C ATOM 1779 CG1 VAL A 115 6.571 2.766 14.031 1.00 0.00 C ATOM 1780 CG2 VAL A 115 4.794 1.434 15.187 1.00 0.00 C ATOM 0 H VAL A 115 5.170 -0.995 13.812 1.00 0.00 H new ATOM 0 HA VAL A 115 4.712 1.500 12.437 1.00 0.00 H new ATOM 0 HB VAL A 115 6.712 0.718 14.598 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.899 3.139 15.001 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.427 2.699 13.360 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.833 3.449 13.611 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.146 1.825 16.142 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.008 2.081 14.797 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.398 0.429 15.331 1.00 0.00 H new ATOM 1790 N PHE A 116 6.481 1.366 10.699 1.00 0.00 N ATOM 1791 CA PHE A 116 7.535 1.392 9.692 1.00 0.00 C ATOM 1792 C PHE A 116 8.308 2.707 9.747 1.00 0.00 C ATOM 1793 O PHE A 116 7.803 3.717 10.241 1.00 0.00 O ATOM 1794 CB PHE A 116 6.941 1.195 8.296 1.00 0.00 C ATOM 1795 CG PHE A 116 6.516 -0.219 8.019 1.00 0.00 C ATOM 1796 CD1 PHE A 116 7.455 -1.190 7.706 1.00 0.00 C ATOM 1797 CD2 PHE A 116 5.179 -0.578 8.073 1.00 0.00 C ATOM 1798 CE1 PHE A 116 7.066 -2.491 7.451 1.00 0.00 C ATOM 1799 CE2 PHE A 116 4.785 -1.878 7.818 1.00 0.00 C ATOM 1800 CZ PHE A 116 5.730 -2.837 7.508 1.00 0.00 C ATOM 0 H PHE A 116 5.613 1.819 10.413 1.00 0.00 H new ATOM 0 HA PHE A 116 8.226 0.576 9.904 1.00 0.00 H new ATOM 0 HB2 PHE A 116 6.080 1.854 8.180 1.00 0.00 H new ATOM 0 HB3 PHE A 116 7.677 1.497 7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 116 8.501 -0.927 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 116 4.436 0.167 8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 116 7.807 -3.238 7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.739 -2.144 7.861 1.00 0.00 H new ATOM 0 HZ PHE A 116 5.425 -3.854 7.311 1.00 0.00 H new ATOM 1810 N LEU A 117 9.534 2.688 9.237 1.00 0.00 N ATOM 1811 CA LEU A 117 10.378 3.878 9.228 1.00 0.00 C ATOM 1812 C LEU A 117 10.831 4.213 7.811 1.00 0.00 C ATOM 1813 O LEU A 117 10.888 3.340 6.943 1.00 0.00 O ATOM 1814 CB LEU A 117 11.596 3.669 10.129 1.00 0.00 C ATOM 1815 CG LEU A 117 12.339 4.937 10.556 1.00 0.00 C ATOM 1816 CD1 LEU A 117 11.770 5.475 11.859 1.00 0.00 C ATOM 1817 CD2 LEU A 117 13.829 4.659 10.696 1.00 0.00 C ATOM 0 H LEU A 117 9.966 1.862 8.824 1.00 0.00 H new ATOM 0 HA LEU A 117 9.791 4.714 9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 117 11.273 3.141 11.026 1.00 0.00 H new ATOM 0 HB3 LEU A 117 12.299 3.017 9.611 1.00 0.00 H new ATOM 0 HG LEU A 117 12.202 5.694 9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.310 6.377 12.147 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.715 5.712 11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 117 11.876 4.723 12.641 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.342 5.571 11.000 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.986 3.886 11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.227 4.320 9.740 1.00 0.00 H new ATOM 1829 N ILE A 118 11.155 5.481 7.583 1.00 0.00 N ATOM 1830 CA ILE A 118 11.607 5.930 6.272 1.00 0.00 C ATOM 1831 C ILE A 118 12.833 6.830 6.391 1.00 0.00 C ATOM 1832 O ILE A 118 12.729 7.983 6.811 1.00 0.00 O ATOM 1833 CB ILE A 118 10.496 6.690 5.524 1.00 0.00 C ATOM 1834 CG1 ILE A 118 9.165 5.948 5.653 1.00 0.00 C ATOM 1835 CG2 ILE A 118 10.870 6.868 4.059 1.00 0.00 C ATOM 1836 CD1 ILE A 118 7.998 6.690 5.039 1.00 0.00 C ATOM 0 H ILE A 118 11.113 6.216 8.289 1.00 0.00 H new ATOM 0 HA ILE A 118 11.870 5.037 5.705 1.00 0.00 H new ATOM 0 HB ILE A 118 10.385 7.677 5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.255 4.971 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.958 5.771 6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.075 7.407 3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.798 7.435 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.005 5.890 3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.087 6.105 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.882 7.656 5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.183 6.844 3.976 1.00 0.00 H new ATOM 1848 N SER A 119 13.991 6.297 6.018 1.00 0.00 N ATOM 1849 CA SER A 119 15.237 7.052 6.084 1.00 0.00 C ATOM 1850 C SER A 119 15.613 7.602 4.712 1.00 0.00 C ATOM 1851 O SER A 119 15.752 6.852 3.747 1.00 0.00 O ATOM 1852 CB SER A 119 16.366 6.167 6.618 1.00 0.00 C ATOM 1853 OG SER A 119 17.569 6.902 6.754 1.00 0.00 O ATOM 0 H SER A 119 14.093 5.345 5.667 1.00 0.00 H new ATOM 0 HA SER A 119 15.089 7.891 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 119 16.080 5.750 7.584 1.00 0.00 H new ATOM 0 HB3 SER A 119 16.524 5.327 5.942 1.00 0.00 H new ATOM 0 HG SER A 119 18.274 6.315 7.098 1.00 0.00 H new ATOM 1859 N ALA A 120 15.775 8.919 4.634 1.00 0.00 N ATOM 1860 CA ALA A 120 16.136 9.571 3.383 1.00 0.00 C ATOM 1861 C ALA A 120 16.787 10.927 3.637 1.00 0.00 C ATOM 1862 O ALA A 120 16.787 11.425 4.764 1.00 0.00 O ATOM 1863 CB ALA A 120 14.910 9.731 2.497 1.00 0.00 C ATOM 0 H ALA A 120 15.662 9.555 5.424 1.00 0.00 H new ATOM 0 HA ALA A 120 16.861 8.939 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.196 10.220 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 120 14.489 8.750 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.166 10.338 3.012 1.00 0.00 H new ATOM 1869 N SER A 121 17.344 11.519 2.585 1.00 0.00 N ATOM 1870 CA SER A 121 18.002 12.815 2.696 1.00 0.00 C ATOM 1871 C SER A 121 17.061 13.852 3.303 1.00 0.00 C ATOM 1872 O SER A 121 15.841 13.737 3.195 1.00 0.00 O ATOM 1873 CB SER A 121 18.481 13.287 1.323 1.00 0.00 C ATOM 1874 OG SER A 121 19.457 14.307 1.445 1.00 0.00 O ATOM 0 H SER A 121 17.352 11.121 1.646 1.00 0.00 H new ATOM 0 HA SER A 121 18.863 12.702 3.354 1.00 0.00 H new ATOM 0 HB2 SER A 121 18.898 12.445 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 121 17.633 13.658 0.747 1.00 0.00 H new ATOM 0 HG SER A 121 19.748 14.590 0.553 1.00 0.00 H new ATOM 1880 N SER A 122 17.639 14.864 3.941 1.00 0.00 N ATOM 1881 CA SER A 122 16.854 15.921 4.569 1.00 0.00 C ATOM 1882 C SER A 122 15.795 16.454 3.609 1.00 0.00 C ATOM 1883 O SER A 122 14.752 16.953 4.032 1.00 0.00 O ATOM 1884 CB SER A 122 17.767 17.062 5.024 1.00 0.00 C ATOM 1885 OG SER A 122 18.557 17.542 3.951 1.00 0.00 O ATOM 0 H SER A 122 18.648 14.975 4.037 1.00 0.00 H new ATOM 0 HA SER A 122 16.351 15.499 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 122 17.164 17.875 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.414 16.715 5.829 1.00 0.00 H new ATOM 0 HG SER A 122 19.130 18.271 4.267 1.00 0.00 H new ATOM 1891 N LYS A 123 16.071 16.344 2.314 1.00 0.00 N ATOM 1892 CA LYS A 123 15.143 16.812 1.291 1.00 0.00 C ATOM 1893 C LYS A 123 14.144 15.721 0.921 1.00 0.00 C ATOM 1894 O LYS A 123 12.937 15.886 1.098 1.00 0.00 O ATOM 1895 CB LYS A 123 15.909 17.261 0.045 1.00 0.00 C ATOM 1896 CG LYS A 123 15.045 17.987 -0.971 1.00 0.00 C ATOM 1897 CD LYS A 123 14.430 17.023 -1.972 1.00 0.00 C ATOM 1898 CE LYS A 123 13.705 17.763 -3.085 1.00 0.00 C ATOM 1899 NZ LYS A 123 12.420 18.350 -2.617 1.00 0.00 N ATOM 0 H LYS A 123 16.930 15.935 1.948 1.00 0.00 H new ATOM 0 HA LYS A 123 14.593 17.661 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 123 16.727 17.915 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.358 16.388 -0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.254 18.530 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.647 18.726 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 123 15.211 16.394 -2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 123 13.732 16.361 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.346 18.555 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 123 13.512 17.078 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 11.691 18.215 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 12.123 17.879 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 12.547 19.367 -2.438 1.00 0.00 H new ATOM 1913 N ASP A 124 14.655 14.607 0.409 1.00 0.00 N ATOM 1914 CA ASP A 124 13.807 13.487 0.017 1.00 0.00 C ATOM 1915 C ASP A 124 12.812 13.146 1.122 1.00 0.00 C ATOM 1916 O ASP A 124 11.615 13.003 0.872 1.00 0.00 O ATOM 1917 CB ASP A 124 14.663 12.263 -0.312 1.00 0.00 C ATOM 1918 CG ASP A 124 15.562 12.490 -1.512 1.00 0.00 C ATOM 1919 OD1 ASP A 124 15.252 13.387 -2.324 1.00 0.00 O ATOM 1920 OD2 ASP A 124 16.574 11.770 -1.639 1.00 0.00 O ATOM 0 H ASP A 124 15.652 14.455 0.256 1.00 0.00 H new ATOM 0 HA ASP A 124 13.248 13.779 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.275 12.008 0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.013 11.410 -0.505 1.00 0.00 H new ATOM 1925 N THR A 125 13.315 13.014 2.345 1.00 0.00 N ATOM 1926 CA THR A 125 12.472 12.687 3.487 1.00 0.00 C ATOM 1927 C THR A 125 11.244 13.590 3.540 1.00 0.00 C ATOM 1928 O THR A 125 10.124 13.119 3.736 1.00 0.00 O ATOM 1929 CB THR A 125 13.246 12.815 4.812 1.00 0.00 C ATOM 1930 OG1 THR A 125 14.256 11.804 4.889 1.00 0.00 O ATOM 1931 CG2 THR A 125 12.307 12.692 6.003 1.00 0.00 C ATOM 0 H THR A 125 14.303 13.129 2.570 1.00 0.00 H new ATOM 0 HA THR A 125 12.154 11.652 3.359 1.00 0.00 H new ATOM 0 HB THR A 125 13.714 13.799 4.839 1.00 0.00 H new ATOM 0 HG1 THR A 125 13.942 11.071 5.458 1.00 0.00 H new ATOM 0 HG21 THR A 125 12.877 12.786 6.927 1.00 0.00 H new ATOM 0 HG22 THR A 125 11.557 13.481 5.958 1.00 0.00 H new ATOM 0 HG23 THR A 125 11.813 11.721 5.978 1.00 0.00 H new ATOM 1939 N GLY A 126 11.461 14.889 3.363 1.00 0.00 N ATOM 1940 CA GLY A 126 10.363 15.836 3.393 1.00 0.00 C ATOM 1941 C GLY A 126 9.395 15.638 2.243 1.00 0.00 C ATOM 1942 O GLY A 126 8.189 15.831 2.400 1.00 0.00 O ATOM 0 H GLY A 126 12.379 15.303 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.827 15.736 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.761 16.850 3.358 1.00 0.00 H new ATOM 1946 N GLN A 127 9.923 15.253 1.086 1.00 0.00 N ATOM 1947 CA GLN A 127 9.096 15.032 -0.094 1.00 0.00 C ATOM 1948 C GLN A 127 8.066 13.935 0.161 1.00 0.00 C ATOM 1949 O GLN A 127 6.863 14.196 0.195 1.00 0.00 O ATOM 1950 CB GLN A 127 9.971 14.658 -1.292 1.00 0.00 C ATOM 1951 CG GLN A 127 10.431 15.855 -2.106 1.00 0.00 C ATOM 1952 CD GLN A 127 11.445 15.483 -3.171 1.00 0.00 C ATOM 1953 OE1 GLN A 127 12.332 14.662 -2.939 1.00 0.00 O ATOM 1954 NE2 GLN A 127 11.317 16.086 -4.347 1.00 0.00 N ATOM 0 H GLN A 127 10.919 15.088 0.941 1.00 0.00 H new ATOM 0 HA GLN A 127 8.566 15.958 -0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 127 10.846 14.113 -0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 127 9.415 13.980 -1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 127 9.567 16.321 -2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 127 10.867 16.598 -1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 127 10.566 16.760 -4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 127 11.969 15.875 -5.102 1.00 0.00 H new ATOM 1963 N LEU A 128 8.546 12.710 0.339 1.00 0.00 N ATOM 1964 CA LEU A 128 7.666 11.573 0.591 1.00 0.00 C ATOM 1965 C LEU A 128 6.679 11.886 1.710 1.00 0.00 C ATOM 1966 O LEU A 128 5.493 11.569 1.612 1.00 0.00 O ATOM 1967 CB LEU A 128 8.491 10.336 0.953 1.00 0.00 C ATOM 1968 CG LEU A 128 9.105 10.325 2.353 1.00 0.00 C ATOM 1969 CD1 LEU A 128 8.090 9.839 3.377 1.00 0.00 C ATOM 1970 CD2 LEU A 128 10.352 9.454 2.381 1.00 0.00 C ATOM 0 H LEU A 128 9.539 12.478 0.314 1.00 0.00 H new ATOM 0 HA LEU A 128 7.102 11.372 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.855 9.457 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.295 10.234 0.224 1.00 0.00 H new ATOM 0 HG LEU A 128 9.392 11.344 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 128 8.545 9.838 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 128 7.225 10.503 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 128 7.772 8.828 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.776 9.458 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 128 10.089 8.434 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 128 11.085 9.846 1.676 1.00 0.00 H new ATOM 1982 N TYR A 129 7.175 12.510 2.772 1.00 0.00 N ATOM 1983 CA TYR A 129 6.337 12.866 3.910 1.00 0.00 C ATOM 1984 C TYR A 129 5.227 13.826 3.491 1.00 0.00 C ATOM 1985 O TYR A 129 4.049 13.575 3.739 1.00 0.00 O ATOM 1986 CB TYR A 129 7.183 13.498 5.016 1.00 0.00 C ATOM 1987 CG TYR A 129 6.375 13.965 6.206 1.00 0.00 C ATOM 1988 CD1 TYR A 129 5.539 13.090 6.889 1.00 0.00 C ATOM 1989 CD2 TYR A 129 6.447 15.281 6.647 1.00 0.00 C ATOM 1990 CE1 TYR A 129 4.798 13.513 7.976 1.00 0.00 C ATOM 1991 CE2 TYR A 129 5.711 15.712 7.733 1.00 0.00 C ATOM 1992 CZ TYR A 129 4.887 14.824 8.394 1.00 0.00 C ATOM 1993 OH TYR A 129 4.151 15.249 9.476 1.00 0.00 O ATOM 0 H TYR A 129 8.154 12.780 2.869 1.00 0.00 H new ATOM 0 HA TYR A 129 5.878 11.953 4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 129 7.925 12.774 5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.730 14.346 4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 129 5.467 12.062 6.565 1.00 0.00 H new ATOM 0 HD2 TYR A 129 7.090 15.979 6.131 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.152 12.820 8.495 1.00 0.00 H new ATOM 0 HE2 TYR A 129 5.780 16.738 8.063 1.00 0.00 H new ATOM 0 HH TYR A 129 4.329 16.199 9.640 1.00 0.00 H new ATOM 2003 N ALA A 130 5.616 14.927 2.855 1.00 0.00 N ATOM 2004 CA ALA A 130 4.656 15.923 2.398 1.00 0.00 C ATOM 2005 C ALA A 130 3.545 15.279 1.577 1.00 0.00 C ATOM 2006 O ALA A 130 2.472 15.859 1.405 1.00 0.00 O ATOM 2007 CB ALA A 130 5.360 17.000 1.585 1.00 0.00 C ATOM 0 H ALA A 130 6.589 15.151 2.645 1.00 0.00 H new ATOM 0 HA ALA A 130 4.202 16.384 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.631 17.738 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.113 17.489 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.841 16.546 0.719 1.00 0.00 H new ATOM 2013 N ALA A 131 3.807 14.079 1.073 1.00 0.00 N ATOM 2014 CA ALA A 131 2.828 13.356 0.270 1.00 0.00 C ATOM 2015 C ALA A 131 1.878 12.555 1.154 1.00 0.00 C ATOM 2016 O ALA A 131 0.666 12.773 1.138 1.00 0.00 O ATOM 2017 CB ALA A 131 3.530 12.439 -0.721 1.00 0.00 C ATOM 0 H ALA A 131 4.690 13.586 1.206 1.00 0.00 H new ATOM 0 HA ALA A 131 2.239 14.087 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.786 11.906 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 131 4.162 13.033 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 131 4.145 11.721 -0.179 1.00 0.00 H new ATOM 2023 N LEU A 132 2.436 11.627 1.924 1.00 0.00 N ATOM 2024 CA LEU A 132 1.638 10.791 2.815 1.00 0.00 C ATOM 2025 C LEU A 132 0.522 11.601 3.466 1.00 0.00 C ATOM 2026 O LEU A 132 -0.660 11.360 3.218 1.00 0.00 O ATOM 2027 CB LEU A 132 2.527 10.168 3.893 1.00 0.00 C ATOM 2028 CG LEU A 132 3.773 9.434 3.394 1.00 0.00 C ATOM 2029 CD1 LEU A 132 4.629 8.980 4.566 1.00 0.00 C ATOM 2030 CD2 LEU A 132 3.381 8.247 2.526 1.00 0.00 C ATOM 0 H LEU A 132 3.437 11.434 1.949 1.00 0.00 H new ATOM 0 HA LEU A 132 1.186 9.996 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 132 2.843 10.957 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.925 9.468 4.472 1.00 0.00 H new ATOM 0 HG LEU A 132 4.360 10.124 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 132 5.511 8.460 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.939 9.848 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 132 4.051 8.306 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 132 4.280 7.737 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 132 2.773 7.555 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 132 2.809 8.598 1.667 1.00 0.00 H new ATOM 2042 N HIS A 133 0.904 12.563 4.299 1.00 0.00 N ATOM 2043 CA HIS A 133 -0.065 13.412 4.983 1.00 0.00 C ATOM 2044 C HIS A 133 -1.302 13.633 4.117 1.00 0.00 C ATOM 2045 O HIS A 133 -2.399 13.191 4.460 1.00 0.00 O ATOM 2046 CB HIS A 133 0.567 14.757 5.343 1.00 0.00 C ATOM 2047 CG HIS A 133 -0.075 15.425 6.521 1.00 0.00 C ATOM 2048 ND1 HIS A 133 -0.259 16.789 6.603 1.00 0.00 N ATOM 2049 CD2 HIS A 133 -0.580 14.908 7.666 1.00 0.00 C ATOM 2050 CE1 HIS A 133 -0.847 17.082 7.750 1.00 0.00 C ATOM 2051 NE2 HIS A 133 -1.053 15.958 8.412 1.00 0.00 N ATOM 0 H HIS A 133 1.878 12.774 4.517 1.00 0.00 H new ATOM 0 HA HIS A 133 -0.370 12.906 5.899 1.00 0.00 H new ATOM 0 HB2 HIS A 133 1.626 14.607 5.554 1.00 0.00 H new ATOM 0 HB3 HIS A 133 0.505 15.421 4.481 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -0.606 13.864 7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -1.114 18.072 8.088 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -1.493 15.883 9.329 1.00 0.00 H new ATOM 2059 N HIS A 134 -1.116 14.320 2.995 1.00 0.00 N ATOM 2060 CA HIS A 134 -2.218 14.599 2.080 1.00 0.00 C ATOM 2061 C HIS A 134 -3.033 13.339 1.809 1.00 0.00 C ATOM 2062 O HIS A 134 -4.243 13.311 2.033 1.00 0.00 O ATOM 2063 CB HIS A 134 -1.683 15.167 0.764 1.00 0.00 C ATOM 2064 CG HIS A 134 -2.754 15.704 -0.136 1.00 0.00 C ATOM 2065 ND1 HIS A 134 -3.490 16.831 0.162 1.00 0.00 N ATOM 2066 CD2 HIS A 134 -3.210 15.263 -1.331 1.00 0.00 C ATOM 2067 CE1 HIS A 134 -4.354 17.060 -0.812 1.00 0.00 C ATOM 2068 NE2 HIS A 134 -4.204 16.122 -1.730 1.00 0.00 N ATOM 0 H HIS A 134 -0.215 14.693 2.697 1.00 0.00 H new ATOM 0 HA HIS A 134 -2.869 15.337 2.549 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -0.972 15.963 0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -1.135 14.386 0.237 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -2.858 14.396 -1.871 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -5.062 17.875 -0.851 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -4.740 16.048 -2.595 1.00 0.00 H new ATOM 2076 N ARG A 135 -2.363 12.298 1.326 1.00 0.00 N ATOM 2077 CA ARG A 135 -3.026 11.035 1.024 1.00 0.00 C ATOM 2078 C ARG A 135 -4.108 10.729 2.055 1.00 0.00 C ATOM 2079 O ARG A 135 -5.119 10.100 1.741 1.00 0.00 O ATOM 2080 CB ARG A 135 -2.006 9.895 0.985 1.00 0.00 C ATOM 2081 CG ARG A 135 -0.869 10.129 0.003 1.00 0.00 C ATOM 2082 CD ARG A 135 0.162 9.013 0.069 1.00 0.00 C ATOM 2083 NE ARG A 135 1.500 9.484 -0.276 1.00 0.00 N ATOM 2084 CZ ARG A 135 2.581 8.712 -0.245 1.00 0.00 C ATOM 2085 NH1 ARG A 135 2.481 7.439 0.113 1.00 0.00 N ATOM 2086 NH2 ARG A 135 3.765 9.213 -0.573 1.00 0.00 N ATOM 0 H ARG A 135 -1.361 12.304 1.135 1.00 0.00 H new ATOM 0 HA ARG A 135 -3.496 11.126 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -1.590 9.756 1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.518 8.969 0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -1.269 10.197 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.389 11.083 0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 135 0.174 8.590 1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -0.127 8.212 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 135 1.611 10.459 -0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 135 1.572 7.050 0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 135 3.313 6.849 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 135 3.846 10.192 -0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 135 4.594 8.620 -0.549 1.00 0.00 H new ATOM 2100 N ILE A 136 -3.888 11.176 3.287 1.00 0.00 N ATOM 2101 CA ILE A 136 -4.844 10.950 4.364 1.00 0.00 C ATOM 2102 C ILE A 136 -5.829 12.108 4.476 1.00 0.00 C ATOM 2103 O ILE A 136 -7.036 11.899 4.616 1.00 0.00 O ATOM 2104 CB ILE A 136 -4.133 10.763 5.717 1.00 0.00 C ATOM 2105 CG1 ILE A 136 -3.226 9.531 5.676 1.00 0.00 C ATOM 2106 CG2 ILE A 136 -5.154 10.639 6.839 1.00 0.00 C ATOM 2107 CD1 ILE A 136 -1.934 9.758 4.923 1.00 0.00 C ATOM 0 H ILE A 136 -3.056 11.697 3.564 1.00 0.00 H new ATOM 0 HA ILE A 136 -5.387 10.037 4.118 1.00 0.00 H new ATOM 0 HB ILE A 136 -3.514 11.640 5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -2.994 9.226 6.697 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -3.767 8.706 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -4.636 10.507 7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -5.762 11.543 6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -5.796 9.778 6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.341 8.844 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -2.157 10.033 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.372 10.561 5.399 1.00 0.00 H new ATOM 2119 N LEU A 137 -5.309 13.329 4.411 1.00 0.00 N ATOM 2120 CA LEU A 137 -6.144 14.522 4.502 1.00 0.00 C ATOM 2121 C LEU A 137 -7.313 14.445 3.526 1.00 0.00 C ATOM 2122 O LEU A 137 -8.395 14.967 3.795 1.00 0.00 O ATOM 2123 CB LEU A 137 -5.311 15.774 4.221 1.00 0.00 C ATOM 2124 CG LEU A 137 -4.034 15.929 5.047 1.00 0.00 C ATOM 2125 CD1 LEU A 137 -3.126 16.983 4.432 1.00 0.00 C ATOM 2126 CD2 LEU A 137 -4.370 16.287 6.487 1.00 0.00 C ATOM 0 H LEU A 137 -4.313 13.519 4.296 1.00 0.00 H new ATOM 0 HA LEU A 137 -6.544 14.579 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -5.040 15.776 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -5.938 16.649 4.391 1.00 0.00 H new ATOM 0 HG LEU A 137 -3.505 14.976 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.222 17.080 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.858 16.685 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -3.647 17.940 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.449 16.393 7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.922 17.227 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.981 15.498 6.925 1.00 0.00 H new ATOM 2138 N ALA A 138 -7.088 13.789 2.392 1.00 0.00 N ATOM 2139 CA ALA A 138 -8.124 13.640 1.377 1.00 0.00 C ATOM 2140 C ALA A 138 -9.192 12.650 1.826 1.00 0.00 C ATOM 2141 O ALA A 138 -10.354 12.752 1.429 1.00 0.00 O ATOM 2142 CB ALA A 138 -7.510 13.197 0.057 1.00 0.00 C ATOM 0 H ALA A 138 -6.198 13.352 2.153 1.00 0.00 H new ATOM 0 HA ALA A 138 -8.602 14.609 1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -8.295 13.090 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -6.789 13.943 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -7.005 12.240 0.193 1.00 0.00 H new ATOM 2148 N LEU A 139 -8.794 11.690 2.653 1.00 0.00 N ATOM 2149 CA LEU A 139 -9.717 10.678 3.155 1.00 0.00 C ATOM 2150 C LEU A 139 -10.527 11.216 4.331 1.00 0.00 C ATOM 2151 O LEU A 139 -11.744 11.046 4.389 1.00 0.00 O ATOM 2152 CB LEU A 139 -8.951 9.425 3.579 1.00 0.00 C ATOM 2153 CG LEU A 139 -7.687 9.108 2.779 1.00 0.00 C ATOM 2154 CD1 LEU A 139 -7.007 7.862 3.326 1.00 0.00 C ATOM 2155 CD2 LEU A 139 -8.020 8.932 1.304 1.00 0.00 C ATOM 0 H LEU A 139 -7.837 11.591 2.991 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.406 10.419 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.676 9.529 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -9.625 8.571 3.510 1.00 0.00 H new ATOM 0 HG LEU A 139 -6.997 9.946 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -6.110 7.652 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -6.734 8.025 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -7.690 7.015 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -7.109 8.707 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -8.728 8.112 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.462 9.851 0.919 1.00 0.00 H new ATOM 2167 N ARG A 140 -9.841 11.866 5.266 1.00 0.00 N ATOM 2168 CA ARG A 140 -10.496 12.430 6.440 1.00 0.00 C ATOM 2169 C ARG A 140 -11.489 13.517 6.040 1.00 0.00 C ATOM 2170 O ARG A 140 -12.416 13.832 6.787 1.00 0.00 O ATOM 2171 CB ARG A 140 -9.456 13.005 7.404 1.00 0.00 C ATOM 2172 CG ARG A 140 -8.090 12.348 7.288 1.00 0.00 C ATOM 2173 CD ARG A 140 -7.333 12.399 8.606 1.00 0.00 C ATOM 2174 NE ARG A 140 -8.105 11.820 9.703 1.00 0.00 N ATOM 2175 CZ ARG A 140 -7.666 11.754 10.955 1.00 0.00 C ATOM 2176 NH1 ARG A 140 -6.468 12.229 11.268 1.00 0.00 N ATOM 2177 NH2 ARG A 140 -8.427 11.212 11.897 1.00 0.00 N ATOM 0 H ARG A 140 -8.832 12.015 5.233 1.00 0.00 H new ATOM 0 HA ARG A 140 -11.042 11.629 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -9.353 14.074 7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.818 12.892 8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -8.209 11.311 6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -7.509 12.849 6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -6.390 11.862 8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.087 13.434 8.843 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.031 11.446 9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -5.881 12.647 10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -6.134 12.177 12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -9.349 10.846 11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.090 11.161 12.858 1.00 0.00 H new ATOM 2191 N SER A 141 -11.288 14.088 4.856 1.00 0.00 N ATOM 2192 CA SER A 141 -12.164 15.142 4.359 1.00 0.00 C ATOM 2193 C SER A 141 -13.473 14.561 3.836 1.00 0.00 C ATOM 2194 O SER A 141 -14.460 15.278 3.666 1.00 0.00 O ATOM 2195 CB SER A 141 -11.466 15.933 3.249 1.00 0.00 C ATOM 2196 OG SER A 141 -10.731 17.021 3.783 1.00 0.00 O ATOM 0 H SER A 141 -10.527 13.838 4.224 1.00 0.00 H new ATOM 0 HA SER A 141 -12.390 15.812 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 141 -10.797 15.275 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 141 -12.207 16.303 2.541 1.00 0.00 H new ATOM 0 HG SER A 141 -9.803 16.745 3.937 1.00 0.00 H new ATOM 2202 N ARG A 142 -13.475 13.256 3.583 1.00 0.00 N ATOM 2203 CA ARG A 142 -14.662 12.577 3.078 1.00 0.00 C ATOM 2204 C ARG A 142 -15.518 12.053 4.228 1.00 0.00 C ATOM 2205 O ARG A 142 -16.719 12.313 4.291 1.00 0.00 O ATOM 2206 CB ARG A 142 -14.263 11.422 2.158 1.00 0.00 C ATOM 2207 CG ARG A 142 -13.118 11.761 1.217 1.00 0.00 C ATOM 2208 CD ARG A 142 -13.214 10.975 -0.082 1.00 0.00 C ATOM 2209 NE ARG A 142 -12.602 11.690 -1.199 1.00 0.00 N ATOM 2210 CZ ARG A 142 -11.304 11.644 -1.479 1.00 0.00 C ATOM 2211 NH1 ARG A 142 -10.485 10.922 -0.725 1.00 0.00 N ATOM 2212 NH2 ARG A 142 -10.822 12.321 -2.513 1.00 0.00 N ATOM 0 H ARG A 142 -12.668 12.648 3.720 1.00 0.00 H new ATOM 0 HA ARG A 142 -15.249 13.299 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -13.979 10.564 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -15.130 11.122 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -13.128 12.829 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -12.168 11.545 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -12.725 10.009 0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -14.261 10.776 -0.309 1.00 0.00 H new ATOM 0 HE ARG A 142 -13.204 12.256 -1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -10.852 10.401 0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -9.489 10.888 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -11.448 12.878 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -9.825 12.285 -2.727 1.00 0.00 H new